From 5e82968c967567a2c7230b96484b94c6a844bb46 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Wed, 4 Jun 2025 03:29:07 -0400 Subject: [PATCH 01/49] definitive contents outline --- .../{01_orientation.md => 00_orientation.md} | 6 +- docs/nextflow_run/01_basics.md | 6 + docs/nextflow_run/02_pipeline.md | 8 + docs/nextflow_run/02_run_basics.md | 10 - docs/nextflow_run/03_nf-core.md | 7 + docs/nextflow_run/03_run_nf-core.md | 1380 ----------------- .../{04_run_seqera.md => 04_seqera.md} | 7 +- docs/nextflow_run/index.md | 2 +- 8 files changed, 26 insertions(+), 1400 deletions(-) rename docs/nextflow_run/{01_orientation.md => 00_orientation.md} (88%) create mode 100644 docs/nextflow_run/01_basics.md create mode 100644 docs/nextflow_run/02_pipeline.md delete mode 100644 docs/nextflow_run/02_run_basics.md create mode 100644 docs/nextflow_run/03_nf-core.md delete mode 100644 docs/nextflow_run/03_run_nf-core.md rename docs/nextflow_run/{04_run_seqera.md => 04_seqera.md} (87%) diff --git a/docs/nextflow_run/01_orientation.md b/docs/nextflow_run/00_orientation.md similarity index 88% rename from docs/nextflow_run/01_orientation.md rename to docs/nextflow_run/00_orientation.md index 1be4247f1..134507fdc 100644 --- a/docs/nextflow_run/01_orientation.md +++ b/docs/nextflow_run/00_orientation.md @@ -7,7 +7,7 @@ If you have not yet done so, please follow [this link](../../envsetup/) before g ## Materials provided -Throughout this training course, we'll be working in the `run-nextflow/` directory. +Throughout this training course, we'll be working in the `nextflow-run/` directory. This directory contains all the code files, test data and accessory files you will need. Feel free to explore the contents of this directory; the easiest way to do so is to use the file explorer on the left-hand side of the GitHub Codespaces workspace. @@ -20,7 +20,7 @@ Here we generate a table of contents to the second level down: tree . -L 2 ``` -If you run this inside `run-nextflow`, you should see the following output: [TODO] +If you run this inside `nextflow-run`, you should see the following output: [TODO] ```console title="Directory contents" . @@ -40,7 +40,7 @@ If you run this inside `run-nextflow`, you should see the following output: [TOD If for whatever reason you move out of this directory, you can always run this command to return to it: ```bash - cd /workspaces/training/run-nextflow + cd /workspaces/training/nextflow-run ``` Now, to begin the course, click on the arrow in the bottom right corner of this page. diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md new file mode 100644 index 000000000..2f0ccdb3e --- /dev/null +++ b/docs/nextflow_run/01_basics.md @@ -0,0 +1,6 @@ +# Part 1: Basic operations + +1. Meet the one-task Hello World (with inputs) +2. Run it and interpret the console output +3. Locate / manage outputs (results in run directory and publishDir) +4. Manage executions (cache, cleanup) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md new file mode 100644 index 000000000..bd221b230 --- /dev/null +++ b/docs/nextflow_run/02_pipeline.md @@ -0,0 +1,8 @@ +# Part 2: Multi-step pipeline + +1. Meet the multi-step Hello World (up to cowpy but still monolithic) +2. Run it and interpret the console output +3. Containers +4. Configuration (resources, profiles etc) +5. Meet the composable Hello World +6. Run it and compare diff --git a/docs/nextflow_run/02_run_basics.md b/docs/nextflow_run/02_run_basics.md deleted file mode 100644 index 14f0b7e56..000000000 --- a/docs/nextflow_run/02_run_basics.md +++ /dev/null @@ -1,10 +0,0 @@ -# Part 1: Run Basics - -[TODO] - -Should cover: - -- basic project structure (main.nf, modules, nextflow.config) -- run from CLI (re-use from Hello-World) -- basic config elements (refer to hello-config) including profiles -- running resource profiling and adapting the config diff --git a/docs/nextflow_run/03_nf-core.md b/docs/nextflow_run/03_nf-core.md new file mode 100644 index 000000000..6ae09f4a4 --- /dev/null +++ b/docs/nextflow_run/03_nf-core.md @@ -0,0 +1,7 @@ +# Part 3: Run nf-core + +1. Meet the nf-core style Hello World +2. Run it (with test profile) and interpret the console output +3. Locate the outputs (results) +4. Find a 'real' nf-core pipeline +5. Run nf-core/demo diff --git a/docs/nextflow_run/03_run_nf-core.md b/docs/nextflow_run/03_run_nf-core.md deleted file mode 100644 index 0b78d3b73..000000000 --- a/docs/nextflow_run/03_run_nf-core.md +++ /dev/null @@ -1,1380 +0,0 @@ -# Part 3: Run nf-core - -nf-core is a community effort to develop and maintain a curated set of analysis pipelines built using Nextflow. - -![nf-core logo](../nf_customize/img/nf-core-logo.png) - -nf-core provides a standardized set of best practices, guidelines, and templates for building and sharing scientific pipelines. -These pipelines are designed to be modular, scalable, and portable, allowing researchers to easily adapt and execute them using their own data and compute resources. - -One of the key benefits of nf-core is that it promotes open development, testing, and peer review, ensuring that the pipelines are robust, well-documented, and validated against real-world datasets. -This helps to increase the reliability and reproducibility of scientific analyses and ultimately enables researchers to accelerate their scientific discoveries. - -nf-core is published in Nature Biotechnology: [Nat Biotechnol 38, 276–278 (2020). Nature Biotechnology](https://www.nature.com/articles/s41587-020-0439-x). An updated preprint is available at [bioRxiv](https://www.biorxiv.org/content/10.1101/2024.05.10.592912v1). - -## nf-core pipelines and other components - -The nf-core collection currently offers [over 100 pipelines](https://nf-co.re/pipelines/) in various stages of development, [72 subworkflows](https://nf-co.re/subworkflows/) and [over 1300 modules](https://nf-co.re/modules/) that you can use to build your own pipelines. - -Each released pipeline has a dedicated page that includes 6 documentation sections: - -- **Introduction:** An introduction and overview of the pipeline -- **Usage:** Descriptions of how to execute the pipeline -- **Parameters:** Grouped pipeline parameters with descriptions -- **Output:** Descriptions and examples of the expected output files -- **Results:** Example output files generated from the full test dataset -- **Releases & Statistics:** Pipeline version history and statistics - -You should read the pipeline documentation carefully to understand what a given pipeline does and how it can be configured before attempting to run it. - -### Pulling an nf-core pipeline - -One really cool aspect of how Nextflow manages pipelines is that you can pull a pipeline from a GitHub repository without cloning the repository. -This is really convenient if you just want to run a pipeline without modifying the code. - -So if you want to try out an nf-core pipeline with minimal effort, you can start by pulling it using the `nextflow pull` command. - -!!!tip - - You can run this from anywhere, but if you feel like being consistent with previous exercises, you can create a `nf-core-demo` directory under `hello-nextflow`. If you were working through Part 7 (Hello nf-test) before this, you may need to go up one level first. - - ```bash - mkdir nf-core-demo - cd nf-core-demo - ``` - -Whenever you're ready, run the command: - -```bash -nextflow pull nf-core/demo -``` - -Nextflow will `pull` the pipeline's default GitHub branch. -For nf-core pipelines with a stable release, that will be the master branch. -You select a specific branch with `-r`; we'll cover that later. - -```console title="Output" -Checking nf-core/demo ... - downloaded from https://github.com/nf-core/demo.git - revision: 04060b4644 [master] -``` - -To be clear, you can do this with any Nextflow pipeline that is appropriately set up in GitHub, not just nf-core pipelines. -However nf-core is the largest open curated collection of Nextflow pipelines. - -!!!tip - - Pulled pipelines are stored in a hidden assets folder. By default, this folder is `$HOME/.nextflow/assets`, but in this training environment the folder has been set to `$NXF_HOME/assets`: - - ```bash - tree $NXF_HOME/assets/ -L 2 - ``` - - ```console title="Output" - /home/gitpod/.nextflow/assets/ - └── nf-core - └── demo - ``` - - So you don't actually see them listed in your working directory. - However, you can view a list of your cached pipelines using the `nextflow list` command: - - ```bash - nextflow list - ``` - - ```console title="Output" - nf-core/demo - ``` - -Now that we've got the pipeline pulled, we can try running it! - -### Trying out an nf-core pipeline with the test profile - -Conveniently, every nf-core pipeline comes with a `test` profile. -This is a minimal set of configuration settings for the pipeline to run using a small test dataset that is hosted on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. It's a great way to try out a pipeline at small scale. - -The `test` profile for `nf-core/demo` is shown below: - -```groovy title="conf/test.config" linenums="1" -/* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - Nextflow config file for running minimal tests -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - Defines input files and everything required to run a fast and simple pipeline test. - - Use as follows: - nextflow run nf-core/demo -profile test, --outdir - ----------------------------------------------------------------------------------------- -*/ - -process { - resourceLimits = [ - cpus: 4, - memory: '15.GB', - time: '1.h' - ] -} - -params { - config_profile_name = 'Test profile' - config_profile_description = 'Minimal test dataset to check pipeline function' - - // Input data - input = 'https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv' - -} -``` - -This tells us that the `nf-core/demo` `test` profile already specifies the input parameter, so you don't have to provide any input yourself. -However, the `outdir` parameter is not included in the `test` profile, so you have to add it to the execution command using the `--outdir` flag. - -Here, we're also going to specify `-profile docker`, which by nf-core convention enables the use of Docker. - -Lets' try it! - -```bash -nextflow run nf-core/demo -profile docker,test --outdir results -``` - -!!! hint "Changing Nextflow version" - - Depending on the Nextflow version you have installed, this command might fail due to a version mismatch. - If that happens, you can temporarily run the pipeline with a different version than you have installed by adding `NXF_VER=version` to the start of your command as shown below: - - ```bash - NXF_VER=24.09.2-edge nextflow run nf-core/demo -profile docker,test --outdir results - ``` - -Here's the console output from the pipeline: - -```console title="Output" - N E X T F L O W ~ version 24.09.2-edge - -Launching `https://github.com/nf-core/demo` [naughty_bell] DSL2 - revision: 04060b4644 [master] - - ------------------------------------------------------- - ,--./,-. - ___ __ __ __ ___ /,-._.--~' - |\ | |__ __ / ` / \ |__) |__ } { - | \| | \__, \__/ | \ |___ \`-._,-`-, - `._,._,' - nf-core/demo 1.0.1 ------------------------------------------------------- -Input/output options - input : https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv - outdir : results - -Institutional config options - config_profile_name : Test profile - config_profile_description: Minimal test dataset to check pipeline function - -Core Nextflow options - revision : master - runName : naughty_bell - containerEngine : docker - launchDir : /workspaces/training/hello-nextflow - workDir : /workspaces/training/hello-nextflow/work - projectDir : /home/gitpod/.nextflow/assets/nf-core/demo - userName : gitpod - profile : docker,test - configFiles : - -!! Only displaying parameters that differ from the pipeline defaults !! -------------------------------------------------------* The pipeline - https://doi.org/10.5281/zenodo.12192442 - -* The nf-core framework - https://doi.org/10.1038/s41587-020-0439-x - -* Software dependencies - https://github.com/nf-core/demo/blob/master/CITATIONS.md - -executor > local (7) -[0a/e694d8] NFCORE_DEMO:DEMO:FASTQC (SAMPLE3_SE) [100%] 3 of 3 ✔ -[85/4198c1] NFCORE_DEMO:DEMO:SEQTK_TRIM (SAMPLE1_PE) [100%] 3 of 3 ✔ -[d8/fe153e] NFCORE_DEMO:DEMO:MULTIQC [100%] 1 of 1 ✔ --[nf-core/demo] Pipeline completed successfully- -Completed at: 28-Oct-2024 03:24:58 -Duration : 1m 13s -CPU hours : (a few seconds) -Succeeded : 7 -``` - -Isn't that neat? - -You can also explore the `results` directory produced by the pipeline. - -```console title="Output" -results -├── fastqc -│ ├── SAMPLE1_PE -│ ├── SAMPLE2_PE -│ └── SAMPLE3_SE -├── fq -│ ├── SAMPLE1_PE -│ ├── SAMPLE2_PE -│ └── SAMPLE3_SE -├── multiqc -│ ├── multiqc_data -│ ├── multiqc_plots -│ └── multiqc_report.html -└── pipeline_info - ├── execution_report_2024-10-28_03-23-44.html - ├── execution_timeline_2024-10-28_03-23-44.html - ├── execution_trace_2024-10-28_03-14-32.txt - ├── execution_trace_2024-10-28_03-19-33.txt - ├── execution_trace_2024-10-28_03-20-57.txt - ├── execution_trace_2024-10-28_03-22-39.txt - ├── execution_trace_2024-10-28_03-23-44.txt - ├── nf_core_pipeline_software_mqc_versions.yml - ├── params_2024-10-28_03-23-49.json - └── pipeline_dag_2024-10-28_03-23-44.html -``` - -If you're curious about what that all means, check out [the nf-core/demo pipeline documentation page](https://nf-co.re/demo/1.0.1/)! - -And that's all you need to know for now. -Congratulations! You have now run your first nf-core pipeline. - -### Takeaway - -You have a general idea of what nf-core offers and you know how to run an nf-core pipeline using its built-in test profile. - -### What's next? - -Celebrate and take another break! Next, we'll show you how to use nf-core tooling to build your own pipeline. - -## Create a basic pipeline from template - -We will now start developing our own nf-core style pipeline. The nf-core community provides a [command line tool](https://nf-co.re/docs/nf-core-tools) with helper functions to use and develop pipelines. -We have pre-installed nf-core tools, and here, we will use them to create and develop a new pipeline. - -View all of the tooling using the `nf-core --help` argument. - -```bash -nf-core --help -``` - -### Creating your pipeline - -Before we start, let's navigate into the `hello-nf-core` directory: - -``` -cd .. -cd hello-nf-core -``` - -!!! hint "Open a new window in VSCode" - - If you are working with VS Code you can open a new window to reduce visual clutter: - - ```bash - code . - ``` - -Let's start by creating a new pipeline with the `nf-core pipelines create` command: - -All nf-core pipelines are based on a common template, a standardized pipeline skeleton that can be used to streamline development with shared features and components. - -The `nf-core pipelines create` command creates a new pipeline using the nf-core base template with a pipeline name, description, and author. It is the first and most important step for creating a pipeline that will integrate with the wider Nextflow ecosystem. - -```bash -nf-core pipelines create -``` - -Running this command will open a Text User Interface (TUI) for pipeline creation. - -
- -
- -Template features can be flexibly included or excluded at the time of creation, follow these steps create your first pipeline using the `nf-core pipelines create` TUI: - -1. Run the `nf-core pipelines create` command -2. Select **Let's go!** on the welcome screen -3. Select **Custom** on the Choose pipeline type screen -4. Enter your pipeline details, replacing < YOUR NAME > with your own name, then select **Next** - - - **GitHub organisation:** myorg - - **Workflow name:** myfirstpipeline - - **A short description of your pipeline:** My first pipeline - - **Name of the main author / authors:** < YOUR NAME > - -5. On the Template features screen, turn **off**: - - - `Use a GitHub repository` - - `Add GitHub CI tests` - - `Use reference genomes` - - `Add GitHub badges` - - `Include citations` - - `Include a gitpod environment` - - `Include GitHub Codespaces` - - `Use fastqc` - - `Add a changelog` - - `Support Microsoft Teams notifications` - - `Support Slack notifications` - -6. Select **Finish** on the Final details screen -7. Wait for the pipeline to be created, then select **Continue** -8. Select **Finish without creating a repo** on the Create GitHub repository screen -9. Select **Close** on the HowTo create a GitHub repository page - -If run successfully, you will see a new folder in your current directory named `myorg-myfirstpipeline`. - -### Testing your pipeline - -Let's try to run our new pipeline: - -```bash -cd myorg-myfirstpipeline -nextflow run . -profile docker,test --outdir results -``` - -The pipeline should run successfully! - -Here's the console output from the pipeline: - -```console title="Output" -Launching `./main.nf` [marvelous_saha] DSL2 - revision: a633aedb88 - -Input/output options - input : https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv - outdir : results - -Institutional config options - config_profile_name : Test profile - config_profile_description: Minimal test dataset to check pipeline function - -Core Nextflow options - runName : marvelous_saha - containerEngine : docker - launchDir : /workspaces/training/hello-nextflow/hello-nf-core/myorg-myfirstpipeline - workDir : /workspaces/training/hello-nextflow/hello-nf-core/myorg-myfirstpipeline/work - projectDir : /workspaces/training/hello-nextflow/hello-nf-core/myorg-myfirstpipeline - userName : gitpod - profile : docker,test - configFiles : - -!! Only displaying parameters that differ from the pipeline defaults !! ------------------------------------------------------- -executor > local (1) -[ba/579181] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:MULTIQC [100%] 1 of 1 ✔ --[myorg/myfirstpipeline] Pipeline completed successfully- -``` - -Let's dissect what we are seeing. - -The nf-core pipeline template is a working pipeline and comes preconfigured with some modules. Here, we only run [MultiQC](https://multiqc.info/) - -At the top, you see all parameters displayed that differ from the pipeline defaults. Most of these are default or were set by applying the `test` profile. - -Additionally we used the `docker` profile to use docker for software packaging. nf-core provides this as a profile for convenience to enable the docker feature but we could do it with configuration as we did with the earlier module. - -### Template tour - -The nf-core pipeline template comes packed with a lot of files and folders. While creating the pipeline, we selected a subset of the nf-core features. The features we selected are now included as files and directories in our repository. - -While the template may feel overwhelming, a complete understanding isn't required to start developing your pipeline. Let's look at the important places that we need to touch during pipeline development. - -#### Workflows, subworkflows, and modules - -The nf-core pipeline template has a `main.nf` script that calls `myfirstpipeline.nf` from the `workflows` folder. The `myfirstpipeline.nf` file inside the workflows folder is the central pipeline file that is used to bring everything else together. - -Instead of having one large monolithic pipeline script, it's broken up into smaller script components, namely, modules and subworkflows: - -- **Modules:** Wrappers around a single process -- **Subworkflows:** Two or more modules that are packaged together as a mini workflow - -
- --8<-- "docs/hello_nextflow/img/nested.excalidraw.svg" -
- -Within your pipeline repository, `modules` and `subworkflows` are stored within `local` and `nf-core` folders. The `nf-core` folder is for components that have come from the nf-core GitHub repository while the `local` folder is for components that have been developed independently (usually things very specific to a pipeline): - -```console -modules/ -├── local -│ └── .nf -│ . -│ -└── nf-core - ├── - │ ├── environment.yml - │ ├── main.nf - │ ├── meta.yml - │ └── tests - │ ├── main.nf.test - │ ├── main.nf.test.snap - │ └── tags.yml - . -``` - -Modules from nf-core follow a similar structure and contain a small number of additional files for testing using [nf-test](https://www.nf-test.com/) and documentation about the module. - -!!!note - - Some nf-core modules are also split into command specific directories: - - ```console - │ - └── - └── - ├── environment.yml - ├── main.nf - ├── meta.yml - └── tests - ├── main.nf.test - ├── main.nf.test.snap - └── tags.yml - ``` - -!!!note - - The nf-core template does not come with a local modules folder by default. - -#### Configuration files - -The nf-core pipeline template utilizes Nextflow's flexible customization options and has a series of configuration files throughout the template. - -In the template, the `nextflow.config` file is a central configuration file and is used to set default values for parameters and other configuration options. The majority of these configuration options are applied by default while others (e.g., software dependency profiles) are included as optional profiles. - -There are several configuration files that are stored in the `conf` folder and are added to the configuration by default or optionally as profiles: - -- `base.config`: A 'blank slate' config file, appropriate for general use on most high-performance computing environments. This defines broad bins of resource usage, for example, which are convenient to apply to modules. -- `modules.config`: Additional module directives and arguments. -- `test.config`: A profile to run the pipeline with minimal test data. -- `test_full.config`: A profile to run the pipeline with a full-sized test dataset. - -#### `nextflow_schema.json` - -The `nextflow_schema.json` is a file used to store parameter related information including type, description and help text in a machine readable format. The schema is used for various purposes, including automated parameter validation, help text generation, and interactive parameter form rendering in UI interfaces. - -#### `assets/schema_input.json` - -The `schema_input.json` is a file used to define the input samplesheet structure. Each column can have a type, pattern, description and help text in a machine readable format. The schema is used for various purposes, including automated validation, and providing helpful error messages. - -### Takeaway - -You have an example pipeline, and learned about important template files. - -### What's next? - -Congratulations! In the next step, we will check the input data. - ---- - -## Check the input data - -Above, we said that the `test` profile comes with small test files that are stored in the nf-core. Let's check what type of files we are dealing with to plan our expansion. Remember that we can inspect any channel content using the `view` operator: - -```groovy title="workflows/myfirstpipeline.nf" linenums="27" -ch_samplesheet.view() -``` - -and the run command: - -```bash -nextflow run . -profile docker,test --outdir results -``` - -The output should look like the below. We see that we have FASTQ files as input and each set of files is accompanied by some metadata: the `id` and whether or not they are single end: - -```console title="Output" -[['id':'SAMPLE1_PE', 'single_end':false], [/nf-core/test-datasets/viralrecon/illumina/amplicon/sample1_R1.fastq.gz, /nf-core/test-datasets/viralrecon/illumina/amplicon/sample1_R2.fastq.gz]] -[['id':'SAMPLE2_PE', 'single_end':false], [/nf-core/test-datasets/viralrecon/illumina/amplicon/sample2_R1.fastq.gz, /nf-core/test-datasets/viralrecon/illumina/amplicon/sample2_R2.fastq.gz]] -[['id':'SAMPLE3_SE', 'single_end':true], [/nf-core/test-datasets/viralrecon/illumina/amplicon/sample1_R1.fastq.gz, /nf-core/test-datasets/viralrecon/illumina/amplicon/sample2_R1.fastq.gz]] -``` - -You can comment the `view` statement for now. We will use later during this training to inspect the channel content again. - -### Takeaway - -You have learned how input data is supplied via a samplesheet. - -### What's next? - -In the next step we will start changing the code and add new tools to the pipeline. - ---- - -## Add an nf-core module - -nf-core provides a large library of modules and subworkflows: pre-made nextflow wrappers around tools that can be installed into nextflow pipelines. They are designed to be flexible but may require additional configuration to suit different use cases. - -Currently, there are more than [1300 nf-core modules](https://nf-co.re/modules) and [60 nf-core subworkflows](https://nf-co.re/subworkflows) (November 2024) available. Modules and subworkflows can be listed, installed, updated, removed, and patched using nf-core tooling. - -While you could develop a module for this tool independently, you can save a lot of time and effort by leveraging nf-core modules and subworkflows. - -Let's see which modules are available: - -```console -nf-core modules list remote -``` - -This command lists all currently available modules, > 1300. An easier way to find them is to go to the nf-core website and visit the modules subpage [https://nf-co.re/modules](https://nf-co.re/modules). Here you can search for modules by name or tags, find documentation for each module, and see which nf-core pipeline are using the module: - -![nf-core/modules](img/nf-core-modules.png) - -### Install an nf-core module - -Now let's add another tool to the pipeline. - -`Seqtk` is a fast and lightweight tool for processing sequences in the FASTA or FASTQ format. Here, you will use the [`seqtk trim`](https://github.com/lh3/seqtk) command to trim FASTQ files. - -In your pipeline, you will add a new step that will take FASTQ files from the sample sheet as inputs and will produce trimmed fastq files that can be used as an input for other tools and version information about the seqtk tools to mix into the inputs for the MultiQC process. - -
- --8<-- "docs/hello_nextflow/img/pipeline.excalidraw.svg" -
- -The `nf-core modules install` command can be used to install the `seqtk/trim` module directly from the nf-core repository: - -``` -nf-core modules install -``` - -!!!warning - - You need to be in the myorg-myfirstpipeline directory when executing `nf-core modules install` - -You can follow the prompts to find and install the module you are interested in: - -```console -? Tool name: seqtk/trim -``` - -Once selected, the tooling will install the module in the `modules/nf-core/` folder and suggest code that you can add to your main workflow file (`workflows/myfirstpipeline.nf`). - -```console -INFO Installing 'seqtk/trim' -INFO Use the following statement to include this module: - -include { SEQTK_TRIM } from '../modules/nf-core/seqtk/trim/main' -``` - -To enable reporting and reproducibility, modules and subworkflows from the nf-core repository are tracked using hashes in the `modules.json` file. When modules are installed or removed using the nf-core tooling the `modules.json` file will be automatically updated. - -When you open the `modules.json`, you will see an entry for each module that is currently installed from the nf-core modules repository. You can open the file with the VS Code user interface by clicking on it in `myorg-myfirstpipeline/modules.json`: - -```console -"nf-core": { - "multiqc": { - "branch": "master", - "git_sha": "cf17ca47590cc578dfb47db1c2a44ef86f89976d", - "installed_by": ["modules"] - }, - "seqtk/trim": { - "branch": "master", - "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", - "installed_by": ["modules"] - } -} -``` - -### Add the module to your pipeline - -Although the module has been installed in your local pipeline repository, it is not yet added to your pipeline. - -The suggested `include` statement needs to be added to your `workflows/myfirstpipeline.nf` file and the process call (with inputs) needs to be added to the workflow block. - -```groovy title="workflows/myfirstpipeline.nf" linenums="6" -include { SEQTK_TRIM } from '../modules/nf-core/seqtk/trim/main' -include { MULTIQC } from '../modules/nf-core/multiqc/main' -``` - -To add the `SEQTK_TRIM` module to your workflow you will need to check what inputs are required. - -You can view the input channels for the module by opening the `./modules/nf-core/seqtk/trim/main.nf` file. - -```groovy title="modules/nf-core/seqtk/trim/main.nf" linenums="11" -input: -tuple val(meta), path(reads) -``` - -Each nf-core module also has a `meta.yml` file which describes the inputs and outputs. This meta file is rendered on the [nf-core website](https://nf-co.re/modules/seqtk_trim), or can be viewed using the `nf-core modules info` command: - -```console -nf-core modules info seqtk/trim -``` - -It outputs a table with all defined inputs and outputs of the module: - -```console title="Output" - -╭─ Module: seqtk/trim ─────────────────────────────────────────────────────────────────────────────╮ -│ Location: modules/nf-core/seqtk/trim │ -│ 🔧 Tools: seqtk │ -│ 📖 Description: Trim low quality bases from FastQ files │ -╰───────────────────────────────────────────────────────────────────────────────────────────────────╯ - ╷ ╷ - 📥 Inputs │Description │ Pattern -╺━━━━━━━━━━━━━━┿━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━┿━━━━━━━━━━━━╸ - input[0] │ │ -╶──────────────┼───────────────────────────────────────────────────────────────────────┼────────────╴ - meta (map) │Groovy Map containing sample information e.g. [ id:'test', │ - │single_end:false ] │ -╶──────────────┼───────────────────────────────────────────────────────────────────────┼────────────╴ - reads (file)│List of input FastQ files │*.{fastq.gz} - ╵ ╵ - ╷ ╷ - 📥 Outputs │Description │ Pattern -╺━━━━━━━━━━━━━━━━━━━━━┿━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━┿━━━━━━━━━━━━╸ - reads │ │ -╶─────────────────────┼────────────────────────────────────────────────────────────────┼────────────╴ - meta (map) │Groovy Map containing sample information e.g. [ id:'test', │ - │single_end:false ] │ -╶─────────────────────┼────────────────────────────────────────────────────────────────┼────────────╴ - *.fastq.gz (file) │Filtered FastQ files │*.{fastq.gz} -╶─────────────────────┼────────────────────────────────────────────────────────────────┼────────────╴ - versions │ │ -╶─────────────────────┼────────────────────────────────────────────────────────────────┼────────────╴ - versions.yml (file)│File containing software versions │versions.yml - ╵ ╵ - - Use the following statement to include this module: - - include { SEQTK_TRIM } from '../modules/nf-core/seqtk/trim/main' -``` - -Using this module information you can work out what inputs are required for the `SEQTK_TRIM` process: - -1. `tuple val(meta), path(reads)` - - - A tuple with a meta _map_ and a list of FASTQ _files_ - - The channel `ch_samplesheet` used by the `FASTQC` process can be used as the reads input. - -Only one input channel is required, and it already exists, so it can be added to your `firstpipeline.nf` file without any additional channel creation or modifications. - -_Before:_ - -```groovy title="workflows/myfirstpipeline.nf" linenums="30" -// -// Collate and save software versions -// -``` - -_After:_ - -```groovy title="workflows/myfirstpipeline.nf" linenums="29" -// -// MODULE: Run SEQTK_TRIM -// -SEQTK_TRIM ( - ch_samplesheet -) -// -// Collate and save software versions -// -``` - -Let's test it: - -```bash -nextflow run . -profile docker,test --outdir results -``` - -```console title="Output" -Launching `./main.nf` [drunk_waddington] DSL2 - revision: a633aedb88 - -Input/output options - input : https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/samplesheet/samplesheet_test_illumina_amplicon.csv - outdir : results - -Institutional config options - config_profile_name : Test profile - config_profile_description: Minimal test dataset to check pipeline function - -Core Nextflow options - runName : drunk_waddington - containerEngine : docker - launchDir : /workspaces/training/hello-nextflow/hello-nf-core/myorg-myfirstpipeline - workDir : /workspaces/training/hello-nextflow/hello-nf-core/myorg-myfirstpipeline/work - projectDir : /workspaces/training/hello-nextflow/hello-nf-core/myorg-myfirstpipeline - userName : gitpod - profile : docker,test - configFiles : - -!! Only displaying parameters that differ from the pipeline defaults !! ------------------------------------------------------- -executor > local (4) -[74/9b2e7b] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:SEQTK_TRIM (SAMPLE2_PE) [100%] 3 of 3 ✔ -[ea/5ca001] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:MULTIQC [100%] 1 of 1 ✔ --[myorg/myfirstpipeline] Pipeline completed successfully- -``` - -### Inspect results folder - -Default nf-core configuration directs the output of each process into the `/`. After running the previous command, you -should have a `results` folder that looks something like this: - -```console -results -├── multiqc -│ ├── multiqc_data -│ └── multiqc_report.html -├── pipeline_info -│ ├── execution_report_2024-11-14_12-07-43.html -│ ├── execution_report_2024-11-14_12-12-42.html -│ ├── execution_report_2024-11-14_12-13-58.html -│ ├── execution_report_2024-11-14_12-28-59.html -│ ├── execution_timeline_2024-11-14_12-07-43.html -│ ├── execution_timeline_2024-11-14_12-12-42.html -│ ├── execution_timeline_2024-11-14_12-13-58.html -│ ├── execution_timeline_2024-11-14_12-28-59.html -│ ├── execution_trace_2024-11-14_12-07-43.txt -│ ├── execution_trace_2024-11-14_12-12-42.txt -│ ├── execution_trace_2024-11-14_12-13-58.txt -│ ├── execution_trace_2024-11-14_12-28-59.txt -│ ├── params_2024-11-14_12-07-44.json -│ ├── params_2024-11-14_12-12-43.json -│ ├── params_2024-11-14_12-13-59.json -│ ├── params_2024-11-14_12-29-00.json -│ ├── pipeline_dag_2024-11-14_12-07-43.html -│ ├── pipeline_dag_2024-11-14_12-12-42.html -│ ├── pipeline_dag_2024-11-14_12-13-58.html -│ ├── pipeline_dag_2024-11-14_12-28-59.html -│ └── pipeline_software_mqc_versions.yml -└── seqtk - ├── SAMPLE1_PE_sample1_R1.fastq.gz - ├── SAMPLE1_PE_sample1_R2.fastq.gz - ├── SAMPLE2_PE_sample2_R1.fastq.gz - ├── SAMPLE2_PE_sample2_R2.fastq.gz - ├── SAMPLE3_SE_sample1_R1.fastq.gz - └── SAMPLE3_SE_sample2_R1.fastq.gz -``` - -The outputs from the `multiqc` and `seqtk` modules are published in their respective subdirectories. In addition, by default,`nf-core' pipelines generate a set of reports. These files are stored in the`pipeline_info` subdirectory and time-stamped so that runs don't overwrite each other. - -### Handle modules output - -As with the inputs, you can view the outputs for the module by opening the `/modules/nf-core/seqtk/trim/main.nf` file and viewing the module metadata. - -```groovy title="modules/nf-core/seqtk/trim/main.nf" linenums="13" -output: -tuple val(meta), path("*.fastq.gz"), emit: reads -path "versions.yml" , emit: versions -``` - -To help with organization and readability it is beneficial to create named output channels. - -For `SEQTK_TRIM`, the `reads` output could be put into a channel named `ch_trimmed`. - -```groovy title="workflows/myfirstpipeline.nf" linenums="35" -ch_trimmed = SEQTK_TRIM.out.reads -``` - -Similarly, it is beneficial to immediately mix the tool versions into the `ch_versions` channel so they can be used as input for the `MULTIQC` process and passed to the final report. - -```groovy title="workflows/myfirstpipeline.nf" linenums="35" -ch_versions = ch_versions.mix(SEQTK_TRIM.out.versions.first()) -``` - -!!! note - - The `first` operator is used to emit the first item from `SEQTK_TRIM.out.versions` to avoid duplication. - -### Add a parameter to the `seqtk/trim` tool - -nf-core modules should be flexible and usable across many different pipelines. Therefore, tool parameters are typically not set in an nf-core/module. Instead, additional configuration options on how to run the tool, like its parameters or filename, can be applied to a module using the `conf/modules.config` file on the pipeline level. Process selectors (e.g., `withName`) are used to apply configuration options to modules selectively. Process selectors must be used within the `process` scope. - -The parameters or arguments of a tool can be changed using the directive `args`. You can find many examples of how arguments are added to modules in nf-core pipelines, for example, the nf-core/demo [modules.config](https://github.com/nf-core/demo/blob/master/conf/modules.config) file. - -Add this snippet to your `conf/modules.config` file (using the `params` scope) to call the `seqtk/trim` tool with the argument `-b 5` to trim 5 bp from the left end of each read: - -```console title="conf/modules.config" linenums="21" -withName: 'SEQTK_TRIM' { - ext.args = "-b 5" -} -``` - -Run the pipeline again and check if the new parameter is applied: - -```bash -nextflow run . -profile docker,test --outdir results - -[6c/34e549] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:SEQTK_TRIM (SAMPLE1_PE) [100%] 3 of 3 ✔ -[27/397ccf] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:MULTIQC [100%] 1 of 1 ✔ -``` - -Copy the hash you see in your console output (here `6c/34e549`; it is different for _each_ run). You can `ls` using tab-completion in your `work` directory to expand the complete hash. -In this folder you will find various log files. The `.command.sh` file contains the resolved command: - -```bash -less work/6c/34e549912696b6757f551603d135bb/.command.sh -``` - -We can see, that the parameter `-b 5`, that we set in the `modules.config` is applied to the task: - -```console title="Output" -#!/usr/bin/env bash - -set -e # Exit if a tool returns a non-zero status/exit code -set -u # Treat unset variables and parameters as an error -set -o pipefail # Returns the status of the last command to exit with a non-zero status or zero if all successfully execute -set -C # No clobber - prevent output redirection from overwriting files. - -printf "%s\n" sample1_R1.fastq.gz sample1_R2.fastq.gz | while read f; -do - seqtk \ - trimfq \ - -b 5 \ - $f \ - | gzip --no-name > SAMPLE1_PE_$(basename $f) -done - -cat <<-END_VERSIONS > versions.yml -"MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:SEQTK_TRIM": - seqtk: $(echo $(seqtk 2>&1) | sed 's/^.*Version: //; s/ .*$//') -END_VERSIONS -``` - -### Takeaway - -You have now added a nf-core/module to your pipeline, configured it with a particular parameter, and made the output available in the workflow. - -### What's next? - -In the next step we will add a pipeline parameter to allow users to skip the trimming step. - ---- - -## Adding parameters to your pipeline - -Anything that a pipeline user may want to configure regularly should be made into a parameter so it can easily be overridden. nf-core defines some standards for providing parameters. - -Here, as a simple example, you will add a new parameter to your pipeline that will skip the `SEQTK_TRIM` process. - -Parameters are accessible in the pipeline script. - -### Default values - -In the nf-core template the default values for parameters are set in the `nextflow.config` in the base repository. - -Any new parameters should be added to the `nextflow.config` with a default value within the `params` scope. - -Parameter names should be unique and easily identifiable. - -We can a new parameter `skip_trim` to your `nextflow.config` file and set it to `false`. - -```groovy title="nextflow.config" linenums="16" -// Trimming -skip_trim = false -``` - -### Adding parameters to your pipeline - -Here, an `if` statement that is depended on the `skip_trim` parameter can be used to control the execution of the `SEQTK_TRIM` process. An `!` can be used to imply the logical "not". - -Thus, if the `skip_trim` parameter is **not** `true`, the `SEQTK_TRIM` will be be executed. - -```groovy title="workflows/myfirstpipeline.nf" linenums="29" -// -// MODULE: Run SEQTK_TRIM -// -if (!params.skip_trim) { - SEQTK_TRIM ( - ch_samplesheet - ) - ch_trimmed = SEQTK_TRIM.out.reads - ch_versions = ch_versions.mix(SEQTK_TRIM.out.versions.first()) -} -``` - -Now your if statement has been added to your main workflow file and has a default setting in your `nextflow.config` file, you will be able to flexibly skip the new trimming step using the `skip_trim` parameter. - -We can now run the pipeline with the new `skip_trim` parameter to check it is working: - -```console -nextflow run . -profile test,docker --outdir results --skip_trim -``` - -You should see that the `SEQTK_TRIM` process has been skipped in your execution: - -```console title="Output" -!! Only displaying parameters that differ from the pipeline defaults !! ------------------------------------------------------- -WARN: The following invalid input values have been detected: - -* --skip_trim: true - - -executor > local (1) -[7b/8b60a0] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:MULTIQC [100%] 1 of 1 ✔ --[myorg/myfirstpipeline] Pipeline completed successfully- -``` - -### Validate input parameters - -When we ran the pipeline, we saw a warning message: - -```console -WARN: The following invalid input values have been detected: - -* --skip_trim: true -``` - -Parameters are validated through the `nextflow_schema.json` file. This file is also used by the nf-core website (for example, in [nf-core/mag](https://nf-co.re/mag/3.2.1/parameters/)) to render the parameter documentation and print the pipeline help message (`nextflow run . --help`). If you have added parameters and they have not been documented in the `nextflow_schema.json` file, then the input validation does not recognize the parameter. - -The `nextflow_schema.json` file can get very big and very complicated very quickly. - -The `nf-core pipelines schema build` command is designed to support developers write, check, validate, and propose additions to your `nextflow_schema.json` file. - -```console -nf-core pipelines schema build -``` - -It will enable you to launch a web builder to edit this file in your web browser rather than trying to edit this file manually. - -```console -INFO [✓] Default parameters match schema validation -INFO [✓] Pipeline schema looks valid (found 20 params) -✨ Found 'params.skip_trim' in the pipeline config, but not in the schema. Add to pipeline schema? [y/n]: y -INFO Writing schema with 21 params: 'nextflow_schema.json' -🚀 Launch web builder for customization and editing? [y/n]: y -``` - -Using the web builder you can add add details about your new parameters. - -The parameters that you have added to your pipeline will be added to the bottom of the `nf-core pipelines schema build` file. Some information about these parameters will be automatically filled based on the default value from your `nextflow.config`. You will be able to categorize your new parameters into a group, add icons, and add descriptions for each. - -![Pipeline parameters](img/pipeline_schema.png) - -!!!note - - Ungrouped parameters in schema will cause a warning. - -Once you have made your edits you can click `Finished` and all changes will be automatically added to your `nextflow_schema.json` file. - -If you rerun the previous command, the warning should disappear: - -```console -nextflow run . -profile test,docker --outdir results --skip_trim - - -!! Only displaying parameters that differ from the pipeline defaults !! ------------------------------------------------------- -executor > local (1) -[6c/c78d0c] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:MULTIQC [100%] 1 of 1 ✔ --[myorg/myfirstpipeline] Pipeline completed successfully- -``` - -### Takeaway - -You have added a new parameter to the pipeline, and learned how to use nf-core tools to describe it in the pipeline schema. - -### What's next? - -In the next step we will take a look at how we track metadata related to an input file. - ---- - -## Meta maps - -Datasets often contain additional information relevant to the analysis, such as a sample name, information about sequencing protocols, or other conditions needed in the pipeline to process certain samples together, determine their output name, or adjust parameters. - -By convention, nf-core tracks this information as `meta` maps. These are `key`-`value` pairs that are passed into modules together with the files. We already saw this briefly when inspecting the `input` for `seqtk`: - -```groovy title="modules/nf-core/seqtk/trim/main.nf" linenums="11" -input: -tuple val(meta), path(reads) -``` - -If we uncomment our earlier `view` statement: - -```groovy title="workflows/myfirstpipeline.nf" linenums="27" -ch_samplesheet.view() -``` - -and run the pipeline again, we can see the current content of the `meta` maps: - -```console title="meta map" -[[id:SAMPLE1_PE, single_end:false], ....] -``` - -You can add any field that you require to the `meta` map. By default, nf-core modules expect an `id` field. - -### Takeaway - -You know that a `meta` map is used to pass along additional information for a sample. - -### What's next? - -In the next step we will take a look how we can add a new key to the `meta` map using the samplesheet. - ---- - -## Simple Samplesheet adaptations - -nf-core pipelines typically use samplesheets as inputs to the pipelines. This allows us to: - -- validate each entry and print specific error messages. -- attach information to each input file. -- track which datasets are processed. - -Samplesheets are comma-separated text files with a header row specifying the column names, followed by one entry per row. For example, the samplesheet that we have been using during this teaching module looks like this: - -```csv title="samplesheet_test_illumina_amplicon.csv" -sample,fastq_1,fastq_2 -SAMPLE1_PE,https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/illumina/amplicon/sample1_R1.fastq.gz,https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/illumina/amplicon/sample1_R2.fastq.gz -SAMPLE2_PE,https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/illumina/amplicon/sample2_R1.fastq.gz,https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/illumina/amplicon/sample2_R2.fastq.gz -SAMPLE3_SE,https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/illumina/amplicon/sample1_R1.fastq.gz, -SAMPLE3_SE,https://raw.githubusercontent.com/nf-core/test-datasets/viralrecon/illumina/amplicon/sample2_R1.fastq.gz, -``` - -The structure of the samplesheet is specified in its own schema file in `assets/schema_input.json`. Each column has its own entry together with information about the column: - -```json title="schema_input.json" -"properties": { - "sample": { - "type": "string", - "pattern": "^\\S+$", - "errorMessage": "Sample name must be provided and cannot contain spaces", - "meta": ["id"] - }, - "fastq_1": { - "type": "string", - "format": "file-path", - "exists": true, - "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "errorMessage": "FastQ file for reads 1 must be provided, cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" - }, - "fastq_2": { - "type": "string", - "format": "file-path", - "exists": true, - "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "errorMessage": "FastQ file for reads 2 cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" - } -}, -"required": ["sample", "fastq_1"] -``` - -This validates that the samplesheet has at least two columns: `sample` and `fastq1` (`"required": ["sample", "fastq_1"]`). It also checks that `fastq1` and `fastq2` are files, and that the file endings match a particular pattern. -Lastly, `sample` is information about the files that we want to attach and pass along the pipeline. nf-core uses `meta` maps for this: objects that have a key and a value. We can indicate this in the schema file directly by using the meta field: - -```json title="Sample column" - "sample": { - "type": "string", - "pattern": "^\\S+$", - "errorMessage": "Sample name must be provided and cannot contain spaces", - "meta": ["id"] - }, -``` - -This sets the key name as `id` and the value that is in the `sample` column, for example `SAMPLE1_PE`: - -```console title="meta" -[id: SAMPLE1_PE] -``` - -By adding a new entry into the JSON schema, we can attach additional meta information that we want to track. This will automatically validate it for us and add it to the meta map. - -Let's add some new meta information, like the `sequencer` as an optional column: - -```json title="assets/schema_input.json" -"properties": { - "sample": { - "type": "string", - "pattern": "^\\S+$", - "errorMessage": "Sample name must be provided and cannot contain spaces", - "meta": ["id"] - }, - "sequencer": { - "type": "string", - "pattern": "^\\S+$", - "meta": ["sequencer"] - }, - "fastq_1": { - "type": "string", - "format": "file-path", - "exists": true, - "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "errorMessage": "FastQ file for reads 1 must be provided, cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" - }, - "fastq_2": { - "type": "string", - "format": "file-path", - "exists": true, - "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "errorMessage": "FastQ file for reads 2 cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" - } -}, -"required": ["sample", "fastq_1"] -``` - -We can now run our normal tests with the old samplesheet: - -```console -nextflow run . -profile docker,test --outdir results -``` - -The meta map now has a new key `sequencer`, that is empty because we did not specify a value yet: - -```console title="output" -[['id':'SAMPLE1_PE', 'sequencer':[], 'single_end':false], ... ] -[['id':'SAMPLE2_PE', 'sequencer':[], 'single_end':false], ... ] -[['id':'SAMPLE3_SE', 'sequencer':[], 'single_end':true], ... ] -``` - -We have also prepared a new samplesheet, that has the `sequencer` column. You can overwrite the existing input with this command: - -```console -nextflow run . -profile docker,test --outdir results --input ../data/sequencer_samplesheet.csv -``` - -This populates the `sequencer` and we can see it in the pipeline, when `view`ing the samplesheet channel: - -```console title="output" -[['id':'SAMPLE1_PE', 'sequencer':'sequencer1', 'single_end':false], ... ] -[['id':'SAMPLE2_PE', 'sequencer':'sequencer2', 'single_end':false], ... ] -[['id':'SAMPLE3_SE', 'sequencer':'sequencer3', 'single_end':true], ... ] -``` - -We can comment the `ch_samplesheet.view()` line or remove it. We are not going to use it anymore in this training section. - -### Use the new meta key in the pipeline - -We can access this new meta value in the pipeline and use it to, for example, only enable trimming for samples from a particular sequencer. The [branch operator](https://www.nextflow.io/docs/stable/reference/operator.html#branch) let's us split -an input channel into several new output channels based on a selection criteria: - -```groovy title="workflows/myfirstpipeline.nf" linenums="35" -ch_seqtk_in = ch_samplesheet.branch { meta, reads -> - to_trim: meta["sequencer"] == "sequencer2" - other: true -} - -SEQTK_TRIM ( - ch_seqtk_in.to_trim -) -``` - -If we now rerun our default test, no reads are being trimmed (even though we did not specify `--skip_trim`): - -```console -nextflow run . -profile docker,test --outdir results - -[- ] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:SEQTK_TRIM - -[5a/f580bc] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:MULTIQC [100%] 1 of 1 ✔ -``` - -If we use the samplesheet with the `sequencer` set, only one sample will be trimmed: - -```console -nextflow run . -profile docker,test --outdir results --input ../data/sequencer_samplesheet.csv -resume - -[47/fdf9de] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:SEQTK_TRIM (SAMPLE2_PE) [100%] 1 of 1 ✔ -[2a/a742ae] process > MYORG_MYFIRSTPIPELINE:MYFIRSTPIPELINE:MULTIQC [100%] 1 of 1 ✔ -``` - -If you want to learn more about how to fine tune and develop the samplesheet schema further, visit [nf-schema](https://nextflow-io.github.io/nf-schema/2.2/nextflow_schema/sample_sheet_schema_specification/). - -### Takeaway - -You know how to adapt the samplesheet to add new meta information to your files. - -### What's next? - -In the next step we will add a module that is not yet in nf-core. - ---- - -## Create a custom module for your pipeline - -nf-core offers a comprehensive set of modules that have been created and curated by the community. However, as a developer, you may be interested in bespoke pieces of software that are not apart of the nf-core repository or customizing a module that already exists. - -In this instance, we will write a local module for the QC Tool [FastQE](https://fastqe.com/), which computes stats for FASTQ files and print those stats as emoji. - -This section should feel familiar to the `hello_modules` section. - -### Create the module - -!!! note "New module contributions are always welcome and encouraged!" - - If you have a module that you would like to contribute back to the community, reach out on the nf-core slack or open a pull request to the modules repository. - -Start by using the nf-core tooling to create a skeleton local module: - -```console -nf-core modules create -``` - -It will ask you to enter the tool name and some configurations for the module. We will use the defaults here: - - - Specify the tool name: `Name of tool/subtool: fastqe` - - Add the author name: `GitHub Username: (@):` - - Accept the defaults for the remaining prompts by typing `enter` - -This will create a new file in `modules/local/fastqe.nf` that already contains the container and conda definitions, the general structure of the process, and a number of TODO statements to guide you through the adaptation. - -!!! warning - - If the module already exists locally, the command will fail to prevent you from accidentally overwriting existing work: - - ```console - INFO Repository type: pipeline - INFO Press enter to use default values (shown in brackets) or type your own responses. ctrl+click underlined text to open links. - CRITICAL Module file exists already: 'modules/local/fastqe.nf'. Use '--force' to overwrite - ``` - -You will notice, that it still calls `samtools` and the input are `bam`. - -From our sample sheet, we know we have fastq files instead, so let's change the input definition accordingly: - -```groovy title="modules/local/fastqe.nf" linenums="38" -tuple val(meta), path(reads) -``` - -The output of this tool is a tsv file with the emoji annotation, let's adapt the output as well: - -```groovy title="modules/local/fastqe.nf" linenums="42" -tuple val(meta), path("*.tsv"), emit: tsv -``` - -The script section still calls `samtools`. Let's change this to the proper call of the tool: - -```groovy title="modules/local/fastqe.nf" linenums="62" - fastqe \\ - $args \\ - $reads \\ - --output ${prefix}.tsv -``` - -And at last, we need to adapt the version retrieval. This tool does not have a version command, so we will add the release number manually: - -```groovy title="modules/local/fastqe.nf" linenums="52" - def VERSION = '0.3.3' -``` - -and write it to a file in the script section: - -```groovy title="modules/local/fastqe.nf" linenums="70" - fastqe: $VERSION -``` - -We will not cover [`stubs`](https://www.nextflow.io/docs/latest/process.html#stub) in this training. They are not necessary to run a module, so let's remove them for now: - -```groovy title="modules/local/fastqe.nf" linenums="74" -stub: - def args = task.ext.args ?: '' - def prefix = task.ext.prefix ?: "${meta.id}" - // TODO nf-core: A stub section should mimic the execution of the original module as best as possible - // Have a look at the following examples: - // Simple example: https://github.com/nf-core/modules/blob/818474a292b4860ae8ff88e149fbcda68814114d/modules/nf-core/bcftools/annotate/main.nf#L47-L63 - // Complex example: https://github.com/nf-core/modules/blob/818474a292b4860ae8ff88e149fbcda68814114d/modules/nf-core/bedtools/split/main.nf#L38-L54 - """ - touch ${prefix}.bam - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - fastqe: \$(samtools --version |& sed '1!d ; s/samtools //') - END_VERSIONS - """ -``` - -If you think this looks a bit messy and just want to add a complete final version, here's one we made earlier and we've removed all the commented out instructions: - -```groovy title="modules/local/fastqe.nf" linenums="1" -process FASTQE { - tag "$meta.id" - label 'process_single' - - conda "${moduleDir}/environment.yml" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/fastqe:0.3.3--pyhdfd78af_0': - 'biocontainers/fastqe:0.3.3--pyhdfd78af_0' }" - - input: - tuple val(meta), path(reads) - - output: - tuple val(meta), path("*.tsv"), emit: tsv - path "versions.yml" , emit: versions - - when: - task.ext.when == null || task.ext.when - - script: - def args = task.ext.args ?: '' - def prefix = task.ext.prefix ?: "${meta.id}" - def VERSION = '0.3.3' - """ - fastqe \\ - $args \\ - $reads \\ - --output ${prefix}.tsv - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - fastqe: $VERSION - END_VERSIONS - """ -} -``` - -### Include the module into the pipeline - -The module is now ready in your `modules/local` folder, but not yet included in your pipeline. Similar to `seqtk/trim` we need to add it to `workflows/myfirstpipeline.nf`: - -_Before:_ - -```groovy title="workflows/myfirstpipeline.nf" linenums="1" -/* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - IMPORT MODULES / SUBWORKFLOWS / FUNCTIONS -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -*/ -include { SEQTK_TRIM } from '../modules/nf-core/seqtk/trim/main' -include { MULTIQC } from '../modules/nf-core/multiqc/main' -``` - -_After:_ - -```groovy title="workflows/myfirstpipeline.nf" linenums="1" -/* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - IMPORT MODULES / SUBWORKFLOWS / FUNCTIONS -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -*/ -include { FASTQE } from '../modules/local/fastqe' -include { SEQTK_TRIM } from '../modules/nf-core/seqtk/trim/main' -include { MULTIQC } from '../modules/nf-core/multiqc/main' -``` - -and call it on our input data: - -```groovy title="workflows/myfirstpipeline.nf" linenums="47" - FASTQE(ch_samplesheet) - ch_versions = ch_versions.mix(FASTQE.out.versions.first()) -``` - -Let's run the pipeline again: - -```console -nextflow run . -profile docker,test --outdir results -``` - -In the results folder, you should now see a new subdirectory `fastqe/`, with the mean read qualities: - -```console title="SAMPLE1_PE.tsv" -Filename Statistic Qualities -sample1_R1.fastq.gz mean 😝 😝 😝 😝 😝 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😉 😉 😜 😜 😜 😉 😉 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😁 😉 😛 😜 😉 😉 😉 😉 😜 😜 😉 😉 😉 😉 😉 😁 😁 😁 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😜 😉 😉 😉 😉 😉 😜 😜 😜 😜 😜 😜 😜 😜 😜 😜 😜 😜 😜 😜 😛 😜 😜 😛 😛 😛 😚 -sample1_R2.fastq.gz mean 😌 😌 😌 😝 😝 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😜 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😉 😜 😉 😉 😜 😜 😉 😜 😜 😜 😜 😜 😜 😜 😜 😜 😜 😜 😜 😛 😜 😜 😜 😛 😜 😜 😜 😜 😛 😜 😛 😛 😛 😛 😛 😛 😛 😛 😛 😛 😛 😛 😝 😛 😝 😝 😝 😝 😝 😝 😝 😝 😝 😝 😝 😝 😝 😝 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😌 😋 😋 😋 😋 😋 😋 😋 😋 😀 -``` - -### Takeaway - -You know how to add a local module. - -And summarise your sequencing data as emojis. - ---- - -## Takeaway - -You know how to use the nf-core tooling to create a new pipeline, add modulea to it, apply tool and pipeline parameters, and adapt the samplesheet. - -## What's next? - -Celebrate and take another break! Next, we'll show you how to take advantage of Seqera Platform to launch and monitor your workflows more conveniently and efficiently on any compute infrastructure. diff --git a/docs/nextflow_run/04_run_seqera.md b/docs/nextflow_run/04_seqera.md similarity index 87% rename from docs/nextflow_run/04_run_seqera.md rename to docs/nextflow_run/04_seqera.md index 9da4c1d2b..0411ad37e 100644 --- a/docs/nextflow_run/04_run_seqera.md +++ b/docs/nextflow_run/04_seqera.md @@ -1,9 +1,4 @@ ---- -title: "Part 9: Hello Seqera" -description: Get started with Seqera Platform ---- - -# Part 9: Hello Seqera +# Part 4: Run on Seqera So far we've been running Nextflow workflows on our local machine using the command line interface. In this section, we'll introduce you to Seqera Platform, a powerful cloud-based platform for running, monitoring, and sharing Nextflow workflows. diff --git a/docs/nextflow_run/index.md b/docs/nextflow_run/index.md index 9b4c3837b..934bf77f4 100644 --- a/docs/nextflow_run/index.md +++ b/docs/nextflow_run/index.md @@ -4,7 +4,7 @@ hide: - toc --- -# Run Nextflow +# Nextflow Run Hello! You are now on the path to running reproducible and scalable scientific workflows using Nextflow. From 2f50afb62674fdbeab083371a6427d57f2bb4ec3 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 02:37:47 -0400 Subject: [PATCH 02/49] First pass of the nextflow run basics section --- docs/nextflow_run/01_basics.md | 515 ++++++++++++++++++++++++++++++- docs/nextflow_run/02_pipeline.md | 2 +- nextflow-run/hello-world-plus.nf | 31 ++ nextflow-run/hello-world.nf | 21 ++ 4 files changed, 563 insertions(+), 6 deletions(-) create mode 100644 nextflow-run/hello-world-plus.nf create mode 100644 nextflow-run/hello-world.nf diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index 2f0ccdb3e..4d91a6210 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -1,6 +1,511 @@ -# Part 1: Basic operations +# Part 1: Run basic operations -1. Meet the one-task Hello World (with inputs) -2. Run it and interpret the console output -3. Locate / manage outputs (results in run directory and publishDir) -4. Manage executions (cache, cleanup) +In this first part of the Nextflow Run training course, we ease into the topic with a very basic domain-agnostic Hello World example, which we'll use to demonstrate essential operations and point out the corresponding Nextflow code components. + +!!! note + + A "Hello World!" is a minimalist example that is meant to demonstrate the basic syntax and structure of a programming language or software framework. + The example typically consists of printing the phrase "Hello, World!" to the output device, such as the console or terminal, or writing it to a file. + +## 0. Warmup: Run Hello World directly + +Let's demonstrate this with a simple command that we run directly in the terminal, to show what it does before we wrap it in Nextflow. + +!!! tip + + Remember that you should now be inside the `hello-nextflow/` directory as described in the Orientation. + +### 0.1. Make the terminal say hello + +```bash +echo 'Hello World!' +``` + +This outputs the text 'Hello World' to the terminal. + +```console title="Output" +Hello World! +``` + +### 0.2. Now make it write the text output to a file + +```bash +echo 'Hello World!' > output.txt +``` + +This does not output anything to the terminal. + +```console title="Output" + +``` + +### 0.3. Show the file contents + +```bash +cat output.txt +``` + +The text 'Hello World' is now in the output file we specified. + +```console title="output.txt" linenums="1" +Hello World! +``` + +!!! tip + + In the training environment, you can also find the output file in the file explorer, and view its contents by clicking on it. Alternatively, you can use the `code` command to open the file for viewing. + + ```bash + code output.txt + ``` + +### Takeaway + +You now know how to run a simple command in the terminal that outputs some text, and optionally, how to make it write the output to a file. + +### What's next? + +Find out what it takes to run a Nextflow workflow that achieves the same result. + +--- + +## 1. Run the workflow + +We provide you with a workflow script named `hello-world.nf` that produces a text file containing the greeting 'Hello World!'. +We're not going to look at the code yet; first let's see what it looks like to run it. + +### 1.1. Launch the workflow and monitor execution + +In the terminal, run the following command: + +```bash +nextflow run hello-world.nf +``` + +You console output should look something like this: + +```console title="Output" linenums="1" + N E X T F L O W ~ version 24.10.0 + +Launching `hello-world.nf` [goofy_torvalds] DSL2 - revision: c33d41f479 + +executor > local (1) +[a3/7be2fa] sayHello | 1 of 1 ✔ +``` + +Congratulations, you just ran your first Nextflow workflow! + +The most important output here is the last line (line 6): + +```console title="Output" linenums="6" +[a3/7be2fa] sayHello | 1 of 1 ✔ +``` + +This tells us that the `sayHello` process was successfully executed once (`1 of 1 ✔`). + +Importantly, this line also tells you where to find the output of the `sayHello` process call. +Let's look at that now. + +### 1.2. Find the output and logs in the `work` directory + +When you run Nextflow for the first time in a given directory, it creates a directory called `work` where it will write all files (and any symlinks) generated in the course of execution. + +Within the `work` directory, Nextflow organizes outputs and logs per process call. +For each process call, Nextflow creates a nested subdirectory, named with a hash in order to make it unique, where it will stage all necessary inputs (using symlinks by default), write helper files, and write out logs and any outputs of the process. + +The path to that subdirectory is shown in truncated form in square brackets in the console output. +Looking at what we got for the run shown above, the console log line for the sayHello process starts with `[a3/7be2fa]`. That corresponds to the following directory path: `work/a3/7be2fa7be2fad5e71e5f49998f795677fd68` + +Let's take a look at what's in there. + +!!! tip + + If you browse the contents of the task subdirectory in the VSCode file explorer, you'll see all the files right away. + However, the log files are set to be invisible in the terminal, so if you want to use `ls` or `tree` to view them, you'll need to set the relevant option for displaying invisible files. + + ```bash + tree -a work + ``` + +You should see something like this, though the exact subdirectory names will be different on your system: + +```console title="Directory contents" +work +└── a3 + └── 7be2fad5e71e5f49998f795677fd68 + ├── .command.begin + ├── .command.err + ├── .command.log + ├── .command.out + ├── .command.run + ├── .command.sh + ├── .exitcode + └── output.txt +``` + +These are the helper and log files: + +- **`.command.begin`**: Metadata related to the beginning of the execution of the process call +- **`.command.err`**: Error messages (`stderr`) emitted by the process call +- **`.command.log`**: Complete log output emitted by the process call +- **`.command.out`**: Regular output (`stdout`) by the process call +- **`.command.run`**: Full script run by Nextflow to execute the process call +- **`.command.sh`**: The command that was actually run by the process call +- **`.exitcode`**: The exit code resulting from the command + +The `.command.sh` file is especially useful because it tells you what command Nextflow actually executed. +In this case it's very straightforward, but later in the course you'll see commands that involve some interpolation of variables. +When you're dealing with that, you need to be able to check exactly what was run, especially when troubleshooting an issue. + +The actual output of the `sayHello` process is `output.txt`. +Open it and you will find the `Hello World!` greeting, which was the expected result of our minimalist workflow. + +```console title="output.txt" linenums="1" +Hello World! +``` + +### Takeaway + +You know how to run a simple Nextflow script, monitor its execution and find its outputs. + +### What's next? + +Learn how to read a basic Nextflow script and identify how its components relate to its functionality. + +--- + +## 2. Examine the Hello World workflow starter script + +What we did there was basically treating the workflow script like a black box. +Now that we've seen what it does, let's open the box and look inside at how the code is organized. + +### 2.1. Examine the overall code structure + +Let's open the `hello-world.nf` script in the editor pane. + +!!! note + + The file is in the `hello-nextflow` directory, which should be your current working directory. + You can either click on the file in the file explorer, or type `ls` in the terminal and Cmd+Click (MacOS) or Ctrl+Click (PC) on the file to open it. + +```groovy title="hello-world.nf" linenums="1" +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + output: + path 'output.txt' + + script: + """ + echo 'Hello World!' > output.txt + """ +} + +workflow { + + // emit a greeting + sayHello() +} +``` + +As you can see, a Nextflow script involves two main types of core components: one or more **processes**, and the **workflow** itself. +Each **process** describes what operation(s) the corresponding step in the pipeline should accomplish, while the **workflow** describes the dataflow logic that connects the various steps. + +Let's take a closer look at the **process** block first, then we'll look at the **workflow** block. + +### 2.2. The `process` definition + +The first block of code describes a **process**. +The process definition starts with the keyword `process`, followed by the process name and finally the process body delimited by curly braces. +The process body must contain a script block which specifies the command to run, which can be anything you would be able to run in a command line terminal. + +Here we have a **process** called `sayHello` that writes its **output** to a file named `output.txt`. + +```groovy title="hello-world.nf" linenums="3" +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + output: + path 'output.txt' + + script: + """ + echo 'Hello World!' > output.txt + """ +} +``` + +This is a very minimal process definition that just contains an `output` definition and the `script` to execute. + +The `output` definition includes the `path` qualifier, which tells Nextflow this should be handled as a path (includes both directory paths and files). +Another common qualifier is `val`. + +!!! note + + The output definition does not _determine_ what output will be created. + It simply _declares_ what is the expected output, so that Nextflow can look for it once execution is complete. + + This is necessary for verifying that the command was executed successfully and for passing the output to downstream processes if needed. + Output produced that doesn't match what is declared in the output block will not be passed to downstream processes. + +In a real-world pipeline, a process usually contains additional blocks such as directives and inputs, which we'll introduce in a little bit. + +### 2.3. The `workflow` definition + +The second block of code describes the **workflow** itself. +The workflow definition starts with the keyword `workflow`, followed by an optional name, then the workflow body delimited by curly braces. + +Here we have a **workflow** that consists of one call to the `sayHello` process. + +```groovy title="hello-world.nf" linenums="17" +workflow { + + // emit a greeting + sayHello() +} +``` + +This is a very minimal **workflow** definition. +In a real-world pipeline, the workflow typically contains multiple calls to **processes** connected by **channels**, and the processes expect one or more variable **input(s)**. + +We'll look into that next. + +### Takeaway + +You now know how a simple Nextflow workflow is structured and how the basic components relate to its functionality. + +### What's next? + +Learn to recognize and utilize two more key features of real-world pipelines: inputs parameters and the `publishDir` directive, which provide flexibility for managing inputs and outputs, respectively. + +--- + +## 3. A more flexible Hello World + +An important requirement of real-world pipelines is to be able to feed inputs to the workflow from the command-line, and be able to retrieve outputs efficiently. + +Let's look at a slightly upgraded version of our Hello World workflow called `hello-world-plus.nf` that accepts an arbitrary greeting string from the command-line and writes its output to a more easily accessible directory. + +### 3.1. Examine the code of the upgraded workflow + +This time we're going to look at the code _before_ we run it. +As you can see, we've highlighted the differences compared to the previous version. + +```groovy title="hello-world-plus.nf" linenums="1" hl_lines="8,10-11,22-25,30" +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path 'output.txt' + + script: + """ + echo '$greeting' > output.txt + """ +} + +/* + * Pipeline parameters + */ +params.greeting = 'Holà mundo!' + +workflow { + + // emit a greeting + sayHello(params.greeting) +} +``` + +That may seem like a lot, so let's break it down. + +### 3.1.1. Variable inputs + +First let's look at the components that allow us to pass an input from command-line. + +In the process definition, we now have an input block that specifies a value called 'greeting'. + +```groovy title="hello-world-plus.nf" linenums="10" + input: + val greeting +``` + +That tells Nextflow that the `sayHello()` process now expects an input value. + +Below that, we have a `params` definition that sepcifies a command-line parameter called `greeting`, with the default value set to `Holà mundo!`: + +```groovy title="hello-world-plus.nf" linenums="25" +params.greeting = 'Holà mundo!' +``` + +And finally, bringing it all together in the `workflow` block, we are now giving the `sayHello()` process call an input, which is the `greeting` parameter defined above: + +```groovy title="hello-world-plus.nf" linenums="29" + // emit a greeting + sayHello(params.greeting) +``` + +This means we'll be able to set a greeting from the command-line using `--greeting` as a parameter name. +You'll see that in action in a minute. + +### 3.1.2. Conveniently accessible outputs + +The other notable addition here is just one line, but it's an important one: + +```groovy title="hello-world-plus.nf" linenums="8" + publishDir 'results', mode: 'copy' +``` + +This is a directive that tells Nextflow to write a copy of the output to the specified directory. +Here we've called it `results` but you can call it anything you want. + +It is possible to use a symbolic link instead of copying the file; this will be discussed later. + +### 3.2. Run the upgraded workflow + +Let's see that in action! +In your terminal, run the following command. + +```bash +nextflow run hello-world-plus.nf --greeting 'Bonjour le monde' +``` + +You console output should look something like this: + +```console title="Output" linenums="1" + N E X T F L O W ~ version 24.10.0 + +Launching `hello-world-plus.nf` [goofy_torvalds] DSL2 - revision: c33d41f479 + +executor > local (1) +[a3/7be2fa] sayHello | 1 of 1 ✔ +``` + +You should see a new directory called `results` appear. +Look inside and you will find your `output.txt file. +The contents should match the string you specified on the command line. +If try running this again without specifying the `--greeting` parameter, the output should match the default value specified in the workflow script. + +In any case, it should match the output that is produced in the work subdirectory. +This is how we publish results files outside of the working directories conveniently. + +### Takeaway + +You now know how input parameters, and the `publishDir` directive provide flexibility for managing inputs and outputs. + +### What's next? + +Learn to manage your workflow executions conveniently. + +--- + +## 4. Manage workflow executions + +Knowing how to launch workflows and retrieve outputs is great, but you'll quickly find there are a few other aspects of workflow management that will make your life easier. + +Here we show you how to take advantage of the `resume` feature for when you need to re-launch the same workflow, and how to delete older work directories with `nextflow clean`. + +### 4.1. Re-launch a workflow with `-resume` + +Sometimes, you're going to want to re-run a pipeline that you've already launched previously without redoing any steps that already completed successfully. + +Nextflow has an option called `-resume` that allows you to do this. +Specifically, in this mode, any processes that have already been run with the exact same code, settings and inputs will be skipped. +This means Nextflow will only run processes that you've added or modified since the last run, or to which you're providing new settings or inputs. + +There are two key advantages to doing this: + +- If you're in the middle of developing a pipeline, you can iterate more rapidly since you only have to run the process(es) you're actively working on in order to test your changes. +- If you're running a pipeline in production and something goes wrong, in many cases you can fix the issue and relaunch the pipeline, and it will resume running from the point of failure, which can save you a lot of time and compute. + +To use it, simply add `-resume` to your command and run it: + +```bash +nextflow run hello-world-plus.nf -resume +``` + +The console output should look similar. + +```console title="Output" linenums="1" + N E X T F L O W ~ version 24.10.0 + +Launching `hello-world-plus.nf` [golden_cantor] DSL2 - revision: 35bd3425e5 + +[62/49a1f8] sayHello | 1 of 1, cached: 1 ✔ +``` + +Look for the `cached:` bit that has been added in the process status line (line 5), which means that Nextflow has recognized that it has already done this work and simply re-used the result from the previous successful run. + +You can also see that the work subdirectory hash is the same as in the previous run. +Nextflow is literally pointing you to the previous execution and saying "I already did that over there." + +!!! note + + When your re-run a pipeline with `resume`, Nextflow does not overwrite any files written to a `publishDir` directory by any process call that was previously run successfully. + +### 4.2. Delete older work directories + +During the development process, you'll typically run your draft pipelines a large number of times, which can lead to an accumulation of very many files across many subdirectories. +Since the subdirectories are named randomly, it is difficult to tell from their names what are older vs. more recent runs. + +Nextflow includes a convenient `clean` subcommand that can automatically delete the work subdirectories for past runs that you no longer care about, with several [options](https://www.nextflow.io/docs/latest/reference/cli.html#clean) to control what will be deleted. + +Here we show you an example that deletes all subdirectories from runs before a given run, specified using its run name. +The run name is the machine-generated two-part string shown in square brackets in the `Launching (...)` console output line. + +First we use the dry run flag `-n` to check what will be deleted given the command: + +```bash +nextflow clean -before golden_cantor -n +``` + +The output should look like this: + +```console title="Output" +Would remove /workspaces/training/nextflow-run/work/a3/7be2fad5e71e5f49998f795677fd68 +``` + +If you don't see any lines output, you either did not provide a valid run name or there are no past runs to delete. + +If the output looks as expected and you want to proceed with the deletion, re-run the command with the `-f` flag instead of `-n`: + +```bash +nextflow clean -before golden_cantor -f +``` + +You should now see the following: + +```console title="Output" +Removed /workspaces/training/nextflow-run/work/a3/7be2fad5e71e5f49998f795677fd68 +``` + +!!! Warning + + Deleting work subdirectories from past runs removes them from Nextflow's cache and deletes any outputs that were stored in those directories. + That means it breaks Nextflow's ability to resume execution without re-running the corresponding processes. + + You are responsible for saving any outputs that you care about or plan to rely on! If you're using the `publishDir` directive for that purpose, make sure to use the `copy` mode, not the `symlink` mode. + +### Takeaway + +You know how to relaunch a pipeline without repeating steps that were already run in an identical way, and use the `nextflow clean` command to clean up old work directories. + +### What's next? + +Take a little break! You've just absorbed a big pile of Nextflow syntax and usage instructions. + +In the next section of this training, we're going to look at three successively more realistic versions of the Hello World pipeline that will demonstrate how Nextflow allows you to process multiple inputs efficiently, run workflows composed of multiple steps chained together, and leverage modular code components. diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index bd221b230..565a9c7a6 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -1,4 +1,4 @@ -# Part 2: Multi-step pipeline +# Part 2: Run pipelines 1. Meet the multi-step Hello World (up to cowpy but still monolithic) 2. Run it and interpret the console output diff --git a/nextflow-run/hello-world-plus.nf b/nextflow-run/hello-world-plus.nf new file mode 100644 index 000000000..6236eea21 --- /dev/null +++ b/nextflow-run/hello-world-plus.nf @@ -0,0 +1,31 @@ +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path 'output.txt' + + script: + """ + echo '$greeting' > output.txt + """ +} + +/* + * Pipeline parameters + */ +params.greeting = 'Holà mundo!' + +workflow { + + // emit a greeting + sayHello(params.greeting) +} diff --git a/nextflow-run/hello-world.nf b/nextflow-run/hello-world.nf new file mode 100644 index 000000000..4f672da2b --- /dev/null +++ b/nextflow-run/hello-world.nf @@ -0,0 +1,21 @@ +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + output: + path 'output.txt' + + script: + """ + echo 'Hello World!' > output.txt + """ +} + +workflow { + + // emit a greeting + sayHello() +} From 4715c093fac5e2871ed39b0b63013ba3a2e87bb2 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 02:55:12 -0400 Subject: [PATCH 03/49] fix header --- docs/nextflow_run/01_basics.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index 4d91a6210..a42d81eee 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -333,7 +333,7 @@ workflow { That may seem like a lot, so let's break it down. -### 3.1.1. Variable inputs +#### 3.1.1. Variable inputs First let's look at the components that allow us to pass an input from command-line. @@ -362,7 +362,7 @@ And finally, bringing it all together in the `workflow` block, we are now giving This means we'll be able to set a greeting from the command-line using `--greeting` as a parameter name. You'll see that in action in a minute. -### 3.1.2. Conveniently accessible outputs +#### 3.1.2. Conveniently accessible outputs The other notable addition here is just one line, but it's an important one: From 1fc4eb4b2f024578147144819670fd35601ff8df Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 07:04:32 -0400 Subject: [PATCH 04/49] =?UTF-8?q?Part=202=20=E2=80=94=20from=20channels=20?= =?UTF-8?q?to=20containers?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- docs/nextflow_run/02_pipeline.md | 658 ++++++++++++++++++++++- nextflow-run/channels.nf | 36 ++ nextflow-run/flow.nf | 87 +++ nextflow-run/modular.nf | 32 ++ nextflow-run/modules/collectGreetings.nf | 21 + nextflow-run/modules/convertToUpper.nf | 20 + nextflow-run/modules/sayHello.nf | 20 + 7 files changed, 868 insertions(+), 6 deletions(-) create mode 100644 nextflow-run/channels.nf create mode 100644 nextflow-run/flow.nf create mode 100644 nextflow-run/modular.nf create mode 100644 nextflow-run/modules/collectGreetings.nf create mode 100644 nextflow-run/modules/convertToUpper.nf create mode 100644 nextflow-run/modules/sayHello.nf diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 565a9c7a6..a48e8ffe7 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -1,8 +1,654 @@ # Part 2: Run pipelines -1. Meet the multi-step Hello World (up to cowpy but still monolithic) -2. Run it and interpret the console output -3. Containers -4. Configuration (resources, profiles etc) -5. Meet the composable Hello World -6. Run it and compare +In Part 1 of this course (Run Basic Operations), we started with an example workflow that had only minimal features in order to keep the code complexity low. +However, most real-world pipelines use more sophisticated features in order to enable efficient processing of large amounts of data at scale, and apply multiple processing steps chained together by sometimes complex logic. + +In this part of the training, we demonstrate key features of real-world pipelines through a set of example workflows that build on the original Hello World pipeline. + +## 1. Processing multiple inputs + +Let's start with the question of how to process not a single greeting at a time, but a batch of greetings, to emulate realistic high-throughout data processing. + +The `hello-world-plus.nf` workflow we ran in Part 1 used a command-line parameter to provide a single value at a time, which was passed directly to the process call using `sayHello(params.greeting)`. +That was a deliberately simplified approach that won't work for processing multiple values. + +In order to process multiple values (experimental data for multiple samples, for example), we have to upgrade the workflow to use Nextflow's powerful system of **channels** and **operators**. + +We've prepared a workflow for you that does exactly that, called `channels.nf`, as well as a CSV file called `greetings.csv` containing some input greetings, emulating the kind of columnar data you might want to process in a real data analysis. + +```csv title="greetings.csv" linenums="1" +Hello,English,123 +Bonjour,French,456 +Holà,Spanish,789 +``` + +(The numbers are not significant, they are just there for illustrative purposes.) + +Let's run the workflow first, and we'll take a look at what has changed in the code after. + +### 1.1. Run the workflow + +Run the following command in your terminal. + +```bash +nextflow run channels.nf --greeting greetings.csv +``` + +This should run without error. + +```console title="Output" linenums="1" + N E X T F L O W ~ version 25.04.3 + +Launching `channels.nf` [tiny_heisenberg] DSL2 - revision: 845b471427 + +executor > local (3) +[1a/1d19ab] sayHello (2) | 3 of 3 ✔ +``` + +Excitingly, this seems to indicate that '3 of 3' calls were made for the process, which is encouraging! +But this only shows us a single run of the process, with one subdirectory path (`1a/1d19ab`). +What's going on? + +By default, the ANSI logging system writes the logging from multiple calls to the same process on the same line. +Fortunately, we can disable that behavior to see the full list of process calls. + +### 1.2. Run the command again with the `-ansi-log false` option + +To expand the logging to display one line per process call, add `-ansi-log false` to the command. + +```bash +nextflow run channels.nf -ansi-log false +``` + +This time we see all three process runs and their associated work subdirectories listed in the output: + +```console title="Output" linenums="1" +N E X T F L O W ~ version 25.04.3 +Launching `channels.nf` [pensive_poitras] DSL2 - revision: 778deadaea +[76/f61695] Submitted process > sayHello (1) +[6e/d12e35] Submitted process > sayHello (3) +[c1/097679] Submitted process > sayHello (2) +``` + +That's much better; at least for a simple workflow. +For a complex workflow, or a large number of inputs, having the full list output to the terminal might get a bit overwhelming, so you might not choose to use `-ansi-log false` in those cases. + +!!! note + + The way the status is reported is a bit different between the two logging modes. + In the condensed mode, Nextflow reports whether calls were completed successfully or not. + In this expanded mode, it only reports that they were submitted. + +### 1.3. Find the outputs + +Ok, so this shows us that the process got run three times. +Let's look for the outputs in the individual work directories first, since we've got them listed. + +TODO: show example work directory output + +There is an output file there but the name has changed, it's no longer just `output.txt`. +File that away in your brain for later. + +Now let's look at the 'results' directory to see if our workflow is still writing a copy of our outputs there. + +TODO: show results directory contents + +Yes! We see all three expected outputs, conveniently with differentiating names. + +### 1.4. Examine the code + +Now let's take a look at what has changed in the workflow code. + +```groovy title="channels.nf" linenums="1" hl_lines="14,18,25,29-32,35" +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path "${greeting}-output.txt" + + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ +} + +/* + * Pipeline parameters + */ +params.greeting = 'greetings.csv' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.greeting) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) +} +``` + +#### 1.4.1. Name the outputs dynamically + +Let's start with the output naming since that's conceptually the simplest change. + +```groovy title="channels.nf" linenums="13" + output: + path "${greeting}-output.txt" + + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ +``` + +You see that the output declaration and the relevant bit of the command have changed to include the greeting value in the output file name. +This is one way to ensure that the output file names won't collide when they get published to the common `results` directory. + +And that's the only change we've had to make inside the process declaration. + +#### 1.4.2. Load the inputs from the CSV + +This is the really interesting part: how did we switch from taking a single value from the command-line, to taking a CSV file, parsing it and processing the individual greetings it contains? + +That is what Nextflow **channels** are for. +Channels are queues designed to handle inputs efficiently and shuttle them from one step to another in multi-step workflows, while providing built-in parallelism and many additional benefits. +They are complemented by **operators** that allow us to transform channel contents as needed. + +Confused? Let's break it down. + +```groovy title="channels.nf" linenums="25" +params.greeting = 'greetings.csv' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.greeting) + .splitCsv() + .map { line -> line[0] } +``` + +This is where the magic happens, starting at line 30. +Here's what that line means in plain English: + +Channel = create a **channel**, i.e. a queue that will hold the data +.fromPath = from the filepath provided in parenthesis +(params.greeting) = the filepath provided with `--greeting` on the command line + +Then the next two lines apply **operators** that transform the contents of the newly created channel as follows: + +.splitCsv() = parse the CSV file into an array representing rows and columns +.map { line -> line[0] } = for each row (line), take only the element in the first column + +So in practice, starting from the following CSV file: + +```csv title="greetings.csv" linenums="1" +Hello,English,123 +Bonjour,French,456 +Holà,Spanish,789 +``` + +We have transformed that into an array that looks like this: + +```txt title="Array contents" +[[Hello,English,123],[Bonjour,French,456],[Holà,Spanish,789]] +``` + +And then we've taken the first element from each of the three rows and loaded them into a Nextflow channel that now contains: `Hello`, `Bonjour`, and `Holà`. + +In other words, the result of this very short snippet of code is a channel called `greeting_ch` loaded with the three individual greetings from the CSV file, ready for processing. + +#### 1.4.3. Call the process on each greeting + +Then in the last line of the workflow block, we call the `sayHello()` process on the loaded `greeting_ch` channel. + +```groovy title="channels.nf" linenums="35" + sayHello(greeting_ch) +} +``` + +This tells Nextflow to run the process _individually_ on each element in the channel, i.e. on each greeting. + +And because Nextflow is smart like that, it will run these process calls in parallel if possible, depending on the available computing infrastructure. + +That is how you can achieve efficient and scalable processing of a lot of data (many samples, or data points, whatever is your unit of research) with comparatively very little code. + +### 1.5. Optional: Add `view()` to inspect channel contents + +If you're interested in getting into the guts of channels and operators, you can use [`view()`](https://www.nextflow.io/docs/latest/reference/operator.html#view) as described below to inspect the contents of the channel. +You can think of `view()` as a debugging tool, like a `print()` statement in Python, or its equivalent in other languages. + +In the workflow block, make the following code change: + +```groovy title="channels.nf" linenums="29" hl_lines="3,5,7" + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.greeting) + .view { thing -> "Before splitCsv: $thing" } + .splitCsv() + .view { thing -> "After splitCsv: $thing" } + .map { line -> line[0] } + .view { thing -> "After map: $thing" } +``` + +Here we are using an operator **closure**, denoted by the curly brackets, to specify what to do within the scope of the `view()` operator. +This code will be executed for each item in the channel. +We define a temporary variable for the inner value, here called `thing` to be generic (it could be anything), representing each individual item loaded in a channel. +This variable is only used within the scope of that closure. + +You can then run the workflow again: + +```bash +nextflow run channels.nf --greeting greetings.csv +``` + +This should once again run without error and produce the following output: + +```console title="Output" linenums="1" + N E X T F L O W ~ version 25.04.3 + +Launching `channels.nf` [tiny_heisenberg] DSL2 - revision: 845b471427 + +executor > local (3) +[1a/1d19ab] sayHello (2) | 3 of 3 ✔ +Before splitCsv: /workspaces/training/nextflow-run/greetings.csv +After splitCsv: [Hello,English,123] +After splitCsv: [Bonjour,French,456] +After splitCsv: [Holà,Spanish,789] +After map: Hello +After map: Bonjour +After map: Holà +``` + +This time you see the extra lines at the end showing you what are the contents of the channel at each stage. +Feel free to play around with the contents of the CSV and change the number in the `line -> line[0]` bit that controls which column's value the `map()` operator will pull out. +See what happens! + +### Takeaway + +You understand at a basic level how channels and operators enable us to process multiple inputs efficiently. + +### What's next? + +Discover how multi-step workflows are constructed and operate. + +--- + +## 2. Multi-step workflows + +Most real-world workflows involve more than one step. +Let's build on what we just learned about channels, and look at how Nextflow uses channels and operators to connect processes together in a multi-step workflow. + +To that end, we provide you with an example workflow that chains together three separate steps and demonstrates the following: + +1. Making data flow from one process to the next +2. Collecting outputs from multiple process calls into a single process call + +Specifically, we made a version of the Hello World workflow that takes each input greeting, converts it to uppercase, then collects all the uppercased greetings into a single output file. + +As previously, we'll run the workflow first then look at the code to see what's changed. + +### 2.1. Run the workflow + +Run the following command in your terminal: + +```bash +nextflow run flow.nf --greeting greetings.csv +``` + +Once again this should run successfully. + +```console title="Output" linenums="1" + N E X T F L O W ~ version 25.04.3 + +Launching `flow.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 + +[d6/cdf466] sayHello (1) | 3 of 3 ✔ +[99/79394f] convertToUpper (2) | 3 of 3 ✔ +[1e/83586c] collectGreetings | 1 of 1 ✔ +There were 3 greetings in this batch +``` + +You see that as promised, multiple steps were run as part of the workflow; the first two (`sayHello` and `convertToUpper`) were presumably run on each individual greeting, and the third (`collectGreetings`) will have been run only once, on the outputs of all three of the `convertToUpper` calls. + +### 2.2. Find the outputs + +If you'd like to verify that that is in fact what happened (good scientist; have a biscuit), you can take a look in the `results` directory. + +```console title="Directory contents" +results +├── Bonjour-output.txt +├── COLLECTED-output.txt +├── COLLECTED-test-batch-output.txt +├── COLLECTED-trio-output.txt +├── Hello-output.txt +├── Holà-output.txt +├── UPPER-Bonjour-output.txt +├── UPPER-Hello-output.txt +└── UPPER-Holà-output.txt +``` + +Look at the file names and check their contents to confirm that they are what you expect, for example: + +```console title="bash" +cat results/COLLECTED-trio-output.txt +``` + +```console title="Output" +HELLO +BONJOUR +HOLà +``` + +That is the expected final result of our multi-step pipeline. + +### 2.3. Examine the code + +Let's look at the code and see what we can tie back to what we just observed. + +```groovy title="channels.nf" linenums="1" +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path "${greeting}-output.txt" + + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ +} + +/* + * Use a text replacement tool to convert the greeting to uppercase + */ +process convertToUpper { + + publishDir 'results', mode: 'copy' + + input: + path input_file + + output: + path "UPPER-${input_file}" + + script: + """ + cat '$input_file' | tr '[a-z]' '[A-Z]' > 'UPPER-${input_file}' + """ +} + +/* + * Collect uppercase greetings into a single output file + */ +process collectGreetings { + + publishDir 'results', mode: 'copy' + + input: + path input_files + val batch_name + + output: + path "COLLECTED-${batch_name}-output.txt" , emit: outfile + val count_greetings , emit: count + + script: + count_greetings = input_files.size() + """ + cat ${input_files} > 'COLLECTED-${batch_name}-output.txt' + """ +} + +/* + * Pipeline parameters + */ +params.greeting = 'greetings.csv' +params.batch = 'test-batch' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.greeting) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) + + // convert the greeting to uppercase + convertToUpper(sayHello.out) + + // collect all the greetings into one file + collectGreetings(convertToUpper.out.collect(), params.batch) + + // emit a message about the size of the batch + collectGreetings.out.count.view { num -> "There were $num greetings in this batch" } +} +``` + +The most obvious difference compared to the previous version of the workflow is that now there are multiple process definitions, and correspondingly, several process calls in the workflow block. + +#### 2.3.1. Multiple process definitions + +In addition to the original `sayHello` process, we now also have `convertToUpper` and `collectGreetings`, which match the names of the processes we saw in the console output. + +All three are structured in the same way and follow roughly the same logic, though you may notice that the `collectGreetings` process takes two inputs and outputs two outputs. +We won't go into that in detail, but it shows how a process can be given additional parameters and emit multiple outputs. + +#### 2.3.2. Processes chained via channels + +The really interesting thing to look at here is how the process calls are chained together in the workflow block. + +```groovy title="channels.nf" linenums="69" +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.greeting) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) + + // convert the greeting to uppercase + convertToUpper(sayHello.out) + + // collect all the greetings into one file + collectGreetings(convertToUpper.out.collect(), params.batch) + + // emit a message about the size of the batch + collectGreetings.out.count.view { num -> "There were $num greetings in this batch" } +} +``` + +You can see that the first process call, to `sayHello()`, is unchanged. + +Then the next process call, to `convertToUpper`, _refers_ to the output of `sayHello` as `sayHello.out`: + +```groovy title="channels.nf" linenums="79" + // convert the greeting to uppercase + convertToUpper(sayHello.out) +``` + +This means 'call `convertToUpper` on the output of `sayHello()`'. + +Then the next call is doing the same thing, with a little twist (or two): + +```groovy title="channels.nf" linenums="82" + // collect all the greetings into one file + collectGreetings(convertToUpper.out.collect(), params.batch) +``` + +First, you'll note this one has two inputs provided to the `collectGreetings()` call: `convertToUpper.out.collect()` and `params.batch`. +The latter is just a parameter value that the process expects (in second position because it is declared in second position in the process definition). + +The other one, `convertToUpper.out.collect()`, is a bit more complicated and deserves its own discussion. + +#### 2.3.3. Operators provide plumbing options + +What we're seeing in `convertToUpper.out.collect()` is the use of another operator, called `collect()`. +This operator is used to collect the outputs from multiple parallel calls to the same process and package them into a single channel element. + +Specifically, +TODO: finish explanation + +There are many other operators available to apply transformations to the contents of channels between process calls. + +This gives pipeline developers a lot of flexibility for customizing the flow logic of their pipeline. +The downside is that it can sometimes make it harder to decipher what the pipeline is doing. + +### 2.4. Use the graph preview + +One very helpful tool for understanding what a pipeline does, if it's not adequately documented, is the graph preview functionality available in VSCode. You can see this in the training environment by clicking on the small `DAG preview` link displayed just above the workflow block in any Nextflow script. + +TODO: add picture + +This does not show operators, but it does give a useful representation of how process calls are connected and what are their inputs. + +### Takeaway + +You understand at a basic level how multi-step workflows are constructed and operate, using channels and operators, and you can manage their execution. + +### What's next? + +Learn how Nextflow pipelines are often modularized to promote code reuse and maintainability. + +--- + +## 3. Modular code components + +So far, all the workflows we've looked at have consisted of one single workflow file containing all the relevant code. + +However, real-world pipelines typically benefit from being _modularized_, meaning that the code is split into different files. +This can make their development and maintenance more efficient and sustainable. + +Here we are going to demonstrate the most common form of code modularity in Nextflow, which is the use of **modules**. + +In Nextflow, a **module** is a single process definition that is encapsulated by itself in a standalone code file. +To use a module in a workflow, you just add a single-line import statement to your workflow code file; then you can integrate the process into the workflow the same way you normally would. + +Putting processes into individual modules makes it possible to reuse process definitions in multiple workflows without producing multiple copies of the code. +This makes the code more shareable, flexible and maintainable. + +We have of course once again prepared a suitable workflow for demonstration purposes, called `modular.nf`, along with a set of modules located in the `modules/` directory. + +### 3.1. Examine the code + +This time we're going to look at the code first. + +TODO: show directory contents + +Importantly, the processes and workflow logic are exactly the same as in the previous version of the workflow. However the process code is in the modules instead of being in the main workflow file, and there are now import statements in the workflow file telling Nextflow to pull them in at runtime. + +```groovy title="hello-modules.nf" linenums="9" hl_lines="4" +// Include modules +include { sayHello } from './modules/sayHello.nf' +include { convertToUpper } from './modules/convertToUpper.nf' +include { collectGreetings } from './modules/collectGreetings.nf' + +workflow { +``` + +You can look inside one of the modules to satisfy yourself that the process definition is unchanged, it's literally just been copy-pasted into a standalone file. + +TODO: show module code for `sayHello` + +So let's see what it looks like to run this new version. + +### 3.2. Run the workflow + +Run this command in your terminal, with the `-resume` flag: + +```bash +nextflow run modular.nf --greeting greetings.csv -resume +``` + +Once again this should run successfully. + +```console title="Output" linenums="1" + N E X T F L O W ~ version 25.04.3 + +Launching `modular.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 + +[j6/cdfa66] sayHello (1) | 3 of 3, cached: ✔ +[95/79484f] convertToUpper (2) | 3 of 3, cached: ✔ +[5e/4358gc] collectGreetings | 1 of 1, cached: ✔ +There were 3 greetings in this batch +``` + +You'll notice that these all cached successfully, meaning that Nextflow recognized that it has already done the requested work, even though the code has been split up and the main workflow file has been renamed. + +None of that matters to Nextflow; what matters is the job script that is generated once all the code has been pulled together and evaluated. + +!!!note + + It is also possible to encapsulate a section of a workflow as a 'subworkflow' that can be imported into a larger pipeline, but that is outside the scope of this course. + + TODO: add links to learn more about composable workflows + +### Takeaway + +You know how processes can be stored in standalone modules to promote code reuse and improve maintainability. + +### What's next? + +Learn to use containers for managing software dependencies. + +--- + +## 4. Using containerized software + +So far the workflows we've been using as examples just needed to run very basic text procession operations using UNIX tools available in our environment. + +However, real-world pipelines typically require specialized tools and packages that are not included by default in most environments. +Usually, you'd need to install these tools, manage their dependencies, and resolve any conflicts. + +That is all very tedious and annoying. +A much better way to address this problem is to use **containers**. + +A **container** is a lightweight, standalone, executable unit of software created from a container **image** that includes everything needed to run an application including code, system libraries and settings. + +!!! note + + We teach this using the technology [Docker](https://www.docker.com/get-started/), but Nextflow supports [several other container technologies](https://www.nextflow.io/docs/latest/container.html#) as well. + +## 4.1. Use a container directly + +First, let's try interacting with a container directly. +This will help solidify your understanding of what containers are before we start using them in Nextflow. + +TODO: clone the content from hello_containers.md + +## 4.2. Use a container in a workflow + +TODO: clone the content from hello_containers.md + +### Takeaway + +You understand what role containers play in managing software tool versions and ensuring reproducibility. + +More generally, you have a basic understanding of the most common and most important components of real-world Nexflow pipelines. + +### What's next? + +Take another break! +TODO: finalize the transition text diff --git a/nextflow-run/channels.nf b/nextflow-run/channels.nf new file mode 100644 index 000000000..0f54be80c --- /dev/null +++ b/nextflow-run/channels.nf @@ -0,0 +1,36 @@ +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path "${greeting}-output.txt" + + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ +} + +/* + * Pipeline parameters + */ +params.greeting = 'greetings.csv' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.greeting) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) +} diff --git a/nextflow-run/flow.nf b/nextflow-run/flow.nf new file mode 100644 index 000000000..9f2ab6dc3 --- /dev/null +++ b/nextflow-run/flow.nf @@ -0,0 +1,87 @@ +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path "${greeting}-output.txt" + + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ +} + +/* + * Use a text replacement tool to convert the greeting to uppercase + */ +process convertToUpper { + + publishDir 'results', mode: 'copy' + + input: + path input_file + + output: + path "UPPER-${input_file}" + + script: + """ + cat '$input_file' | tr '[a-z]' '[A-Z]' > 'UPPER-${input_file}' + """ +} + +/* + * Collect uppercase greetings into a single output file + */ +process collectGreetings { + + publishDir 'results', mode: 'copy' + + input: + path input_files + val batch_name + + output: + path "COLLECTED-${batch_name}-output.txt" , emit: outfile + val count_greetings , emit: count + + script: + count_greetings = input_files.size() + """ + cat ${input_files} > 'COLLECTED-${batch_name}-output.txt' + """ +} + +/* + * Pipeline parameters + */ +params.greeting = 'greetings.csv' +params.batch = 'test-batch' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.greeting) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) + + // convert the greeting to uppercase + convertToUpper(sayHello.out) + + // collect all the greetings into one file + collectGreetings(convertToUpper.out.collect(), params.batch) + + // emit a message about the size of the batch + collectGreetings.out.count.view { num -> "There were $num greetings in this batch" } +} diff --git a/nextflow-run/modular.nf b/nextflow-run/modular.nf new file mode 100644 index 000000000..8764606bf --- /dev/null +++ b/nextflow-run/modular.nf @@ -0,0 +1,32 @@ +#!/usr/bin/env nextflow + +/* + * Pipeline parameters + */ +params.greeting = 'greetings.csv' +params.batch = 'test-batch' + +// Include modules +include { sayHello } from './modules/sayHello.nf' +include { convertToUpper } from './modules/convertToUpper.nf' +include { collectGreetings } from './modules/collectGreetings.nf' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.greeting) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) + + // convert the greeting to uppercase + convertToUpper(sayHello.out) + + // collect all the greetings into one file + collectGreetings(convertToUpper.out.collect(), params.batch) + + // emit a message about the size of the batch + collectGreetings.out.count.view { "There were $it greetings in this batch" } +} diff --git a/nextflow-run/modules/collectGreetings.nf b/nextflow-run/modules/collectGreetings.nf new file mode 100644 index 000000000..849bba4b6 --- /dev/null +++ b/nextflow-run/modules/collectGreetings.nf @@ -0,0 +1,21 @@ +/* + * Collect uppercase greetings into a single output file + */ +process collectGreetings { + + publishDir 'results', mode: 'copy' + + input: + path input_files + val batch_name + + output: + path "COLLECTED-${batch_name}-output.txt" , emit: outfile + val count_greetings , emit: count + + script: + count_greetings = input_files.size() + """ + cat ${input_files} > 'COLLECTED-${batch_name}-output.txt' + """ +} diff --git a/nextflow-run/modules/convertToUpper.nf b/nextflow-run/modules/convertToUpper.nf new file mode 100644 index 000000000..b2689e8e9 --- /dev/null +++ b/nextflow-run/modules/convertToUpper.nf @@ -0,0 +1,20 @@ +#!/usr/bin/env nextflow + +/* + * Use a text replacement tool to convert the greeting to uppercase + */ +process convertToUpper { + + publishDir 'results', mode: 'copy' + + input: + path input_file + + output: + path "UPPER-${input_file}" + + script: + """ + cat '$input_file' | tr '[a-z]' '[A-Z]' > 'UPPER-${input_file}' + """ +} diff --git a/nextflow-run/modules/sayHello.nf b/nextflow-run/modules/sayHello.nf new file mode 100644 index 000000000..6005ad54c --- /dev/null +++ b/nextflow-run/modules/sayHello.nf @@ -0,0 +1,20 @@ +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path "${greeting}-output.txt" + + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ +} From 6586d23c0bd8575bfeb70938c309c7b4fa48205d Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 07:11:47 -0400 Subject: [PATCH 05/49] config needs to be streamlined more --- docs/nextflow_run/03_config.md | 615 ++++++++++++++++++ .../{03_nf-core.md => 04_nf-core.md} | 0 .../{04_seqera.md => 05_seqera.md} | 0 docs/nextflow_run/index.md | 4 +- 4 files changed, 617 insertions(+), 2 deletions(-) create mode 100644 docs/nextflow_run/03_config.md rename docs/nextflow_run/{03_nf-core.md => 04_nf-core.md} (100%) rename docs/nextflow_run/{04_seqera.md => 05_seqera.md} (100%) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md new file mode 100644 index 000000000..60a4bb515 --- /dev/null +++ b/docs/nextflow_run/03_config.md @@ -0,0 +1,615 @@ +# Part 3: Configuration + +This section will explore how to manage the configuration of a Nextflow pipeline in order to customize its behavior, adapt it to different environments, and optimize resource usage _without altering a single line of the workflow code itself_. + +There are multiple ways to do this; here we are going to use the simplest and most common configuration file mechanism, the `nextflow.config` file. +Whenever there is a file named `nextflow.config` in the current directory, Nextflow will automatically load configuration from it. + +TODO: pare down and streamline some more + +!!!note + + Anything you put into the `nextflow.config` can be overridden at runtime by providing the relevant process directives or parameters and values on the command line, or by importing another configuration file, according to the order of precedence described [here](https://www.nextflow.io/docs/latest/config.html). + +In this part of the training, we're going to use the `nextflow.config` file to demonstrate essential components of Nextflow configuration such as process directives, executors, profiles, and parameter files. + +By learning to utilize these configuration options effectively, you can enhance the flexibility, scalability, and performance of your pipelines. + +--- + +## 0. Warmup: Check that Docker is enabled and run the Hello Config workflow + +First, a quick check. There is a `nextflow.config` file in the current directory that contains the line `docker.enabled = `, where `` is either `true` or `false` depending on whether or not you've worked through Part 5 of this course in the same environment. + +If it is set to `true`, you don't need to do anything. + +If it is set to `false`, switch it to `true` now. + +```console title="nextflow.config" linenums="1" +docker.enabled = true +``` + +Once you've done that, verify that the initial workflow runs properly: + +```bash +nextflow run hello-config.nf +``` + +```console title="Output" + N E X T F L O W ~ version 25.04.3 + +Launching `hello-config.nf` [reverent_heisenberg] DSL2 - revision: 028a841db1 + +executor > local (8) +[7f/0da515] sayHello (1) | 3 of 3 ✔ +[f3/42f5a5] convertToUpper (3) | 3 of 3 ✔ +[04/fe90e4] collectGreetings | 1 of 1 ✔ +[81/4f5fa9] cowpy | 1 of 1 ✔ +There were 3 greetings in this batch +``` + +If everything works, you're ready to learn how to modify basic configuration properties to adapt to your compute environment's requirements. + +--- + +## 1. Determine what software packaging technology to use + +The first step toward adapting your workflow configuration to your compute environment is specifying where the software packages that will get run in each step are going to be coming from. +Are they already installed in the local compute environment? Do we need to retrieve images and run them via a container system? Or do we need to retrieve Conda packages and build a local Conda environment? + +In the very first part of this training course (Parts 1-4) we just used locally installed software in our workflow. +Then in Part 5, we introduced Docker containers and the `nextflow.config` file, which we used to enable the use of Docker containers. + +In the warmup to this section, you checked that Docker was enabled in `nextflow.config` file and ran the workflow, which used a Docker container to execute the `cowpy()` process. + +!!! note + + If that doesn't sound familiar, you should probably go back and work through Part 5 before continuing. + +Now let's see how we can configure an alternative software packaging option via the `nextflow.config` file. + +### 1.1. Disable Docker and enable Conda in the config file + +Let's pretend we're working on an HPC cluster and the admin doesn't allow the use of Docker for security reasons. + +Fortunately for us, Nextflow supports multiple other container technologies such as including Singularity (which is more widely used on HPC), and software package managers such as Conda. + +We can change our configuration file to use Conda instead of Docker. +To do so, we switch the value of `docker.enabled` to `false`, and add a directive enabling the use of Conda: + +=== "After" + + ```groovy title="nextflow.config" linenums="1" hl_lines="1-2" + docker.enabled = false + conda.enabled = true + ``` + +=== "Before" + + ```groovy title="nextflow.config" linenums="1" + + docker.enabled = true + ``` + +This will allow Nextflow to create and utilize Conda environments for processes that have Conda packages specified. +Which means we now need to add one of those to our `cowpy` process! + +### 1.2. Specify a Conda package in the process definition + +We've already retrieved the URI for a Conda package containing the `cowpy` tool: `conda-forge::cowpy==1.1.5` + +!!! note + + There are a few different ways to get the URI for a given conda package. + We recommend using the [Seqera Containers](https://seqera.io/containers/) search query, which will give you a URI that you can copy and paste, even if you're not planning to create a container from it. + +Now we add the URI to the `cowpy` process definition using the `conda` directive: + +=== "After" + + ```console title="modules/cowpy.nf" linenums="4" hl_lines="4" + process cowpy { + + container 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' + conda 'conda-forge::cowpy==1.1.5' + + publishDir 'results', mode: 'copy' + ``` + +=== "Before" + + ```console title="modules/cowpy.nf" linenums="4" + process cowpy { + + container 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' + + publishDir 'results', mode: 'copy' + ``` + +To be clear, we're not _replacing_ the `docker` directive, we're _adding_ an alternative option. + +### 1.3. Run the workflow to verify that it can use Conda + +Let's try it out. + +```bash +nextflow run hello-config.nf +``` + +This should work without issue. + +```console title="Output" + N E X T F L O W ~ version 25.04.3 + +Launching `hello-config.nf` [trusting_lovelace] DSL2 - revision: 028a841db1 + +executor > local (8) +[ee/4ca1f2] sayHello (3) | 3 of 3 ✔ +[20/2596a7] convertToUpper (1) | 3 of 3 ✔ +[b3/e15de5] collectGreetings | 1 of 1 ✔ +[c5/af5f88] cowpy | 1 of 1 ✔ +There were 3 greetings in this batch +``` + +Behind the scenes, Nextflow has retrieved the Conda packages and created the environment, which normally takes a bit of work; so it's nice that we don't have to do any of that ourselves! + +!!! note + + This runs quickly because the `cowpy` package is quite small, but if you're working with large packages, it may take a bit longer than usual the first time, and you might see the console output stay 'stuck' for a minute or so before completing. + This is normal and is due to the extra work Nextflow does the first time you use a new package. + +From our standpoint, it looks like it works exactly the same as running with Docker, even though on the backend the mechanics are a bit different. + +This means we're all set to run with Conda environments if needed. + +!!!note + + Since these directives are assigned per process, it is possible 'mix and match', _i.e._ configure some of the processes in your workflow to run with Docker and others with Conda, for example, if the compute infrastructure you are using supports both. + In that case, you would enable both Docker and Conda in your configuration file. + If both are available for a given process, Nextflow will prioritize containers. + + And as noted earlier, Nextflow supports multiple other software packaging and container technologies, so you are not limited to just those two. + +### Takeaway + +You know how to configure which software package each process should use, and how to switch between technologies. + +### What's next? + +Learn how to change the executor used by Nextflow to actually do the work. + +--- + +## 2. Allocate compute resources with process directives + +Most high-performance computing platforms allow (and sometimes require) that you specify certain resource allocation parameters such as number of CPUs and memory. + +By default, Nextflow will use a single CPU and 2GB of memory for each process. +The corresponding process directives are called `cpus` and `memory`, so the following configuration is implied: + +```groovy title="Built-in configuration" linenums="1" +process { + cpus = 1 + memory = 2.GB +} +``` + +You can modify these values, either for all processes or for specific named processes, using additional process directives in your configuration file. +Nextflow will translate them into the appropriate instructions for the chosen executor. + +But how do you know what values to use? + +### 2.1. Run the workflow to generate a resource utilization report + +If you don't know up front how much CPU and memory your processes are likely to need, you can do some resource profiling, meaning you run the workflow with some default allocations, record how much each process used, and from there, estimate how to adjust the base allocations. + +Conveniently, Nextflow includes built-in tools for doing this, and will happily generate a report for you on request. + +To do so, add `-with-report .html` to your command line. + +```bash +nextflow run hello-config.nf -with-report report-config-1.html +``` + +The report is an html file, which you can download and open in your browser. You can also right click it in the file explorer on the left and click on `Show preview` in order to view it in the training environment. + +Take a few minutes to look through the report and see if you can identify some opportunities for adjusting resources. +Make sure to click on the tabs that show the utilization results as a percentage of what was allocated. +There is some [documentation](https://www.nextflow.io/docs/latest/reports.html) describing all the available features. + + + +### 2.2. Set resource allocations for all processes + +The profiling shows that the processes in our training workflow are very lightweight, so let's reduce the default memory allocation to 1GB per process. + +Add the following to your `nextflow.config` file: + +```groovy title="nextflow.config" linenums="4" +process { + memory = 1.GB +} +``` + +### 2.3. Set resource allocations for an individual process + +At the same time, we're going to pretend that the `cowpy` process requires more resources than the others, just so we can demonstrate how to adjust allocations for an individual process. + +=== "After" + + ```groovy title="nextflow.config" linenums="4" hl_lines="3-6" + process { + memory = 1.GB + withName: 'cowpy' { + memory = 2.GB + cpus = 2 + } + } + ``` + +=== "Before" + + ```groovy title="nextflow.config" linenums="14" + process { + memory = 1.GB + } + ``` + +With this configuration, all processes will request 1GB of memory and a single CPU (the implied default), except the `cowpy` process, which will request 2GB and 2 CPUs. + +!!! note + + If you have a machine with few CPUs and you allocate a high number per process, you might see process calls getting queued behind each other. + This is because Nextflow ensures we don't request more CPUs than are available. + +### 2.4. Run the workflow with the modified configuration + +Let's try that out, supplying a different filename for the profiling report so we can compare performance before and after the configuration changes. + +```bash +nextflow run hello-config.nf -with-report report-config-2.html +``` + +You will probably not notice any real difference since this is such a small workload, but this is the approach you would use to analyze the performance and resource requirements of a real-world workflow. + +It is very useful when your processes have different resource requirements. It empowers you to right-size the resource allocations you set up for each process based on actual data, not guesswork. + +!!!note + + This is just a tiny taster of what you can do to optimize your use of resources. + Nextflow itself has some really neat [dynamic retry logic](https://training.nextflow.io/basic_training/debugging/#dynamic-resources-allocation) built in to retry jobs that fail due to resource limitations. + Additionally, the Seqera Platform offers AI-driven tooling for optimizing your resource allocations automatically as well. + + We'll cover both of those approaches in an upcoming part of this training course. + +### 2.5. Add resource limits + +Depending on what computing executor and compute infrastructure you're using, there may be some constraints on what you can (or must) allocate. +For example, your cluster may require you to stay within certain limits. + +You can use the `resourceLimits` directive to set the relevant limitations. The syntax looks like this when it's by itself in a process block: + +```groovy title="Syntax example" +process { + resourceLimits = [ + memory: 750.GB, + cpus: 200, + time: 30.d + ] +} +``` + +Nextflow will translate these values into the appropriate instructions depending on the executor that you specified. + +We're not going to run this, since we don't have access to relevant infrastructure in the training environment. +However, if you were to try running the workflow with resource allocations that exceed these limits, then look up the `sbatch` command in the `.command.run` script file, you would see that the requests that actually get sent to the executor are capped at the values specified by `resourceLimits`. + +!!!note + + The nf-core project has compiled a [collection of configuration files](https://nf-co.re/configs/) shared by various institutions around the world, covering a wide range of HPC and cloud executors. + + Those shared configs are valuable both for people who work there and can therefore just utilize their institution's configuration out of the box, and as a model for people who are looking to develop a configuration for their own infrastructure. + +### Takeaway + +You know how to generate a profiling report to assess resource utilization and how to modify resource allocations for all processes and/or for individual processes, as well as set resource limitations for running on HPC. + +### What's next? + +Learn to use a parameter file to store workflow parameters. + +--- + +## 3. Use a parameter file to store workflow parameters + +So far we've been looking at configuration from the technical point of view of the compute infrastructure. +Now let's consider another aspect of workflow configuration that is very important for reproducibility: the configuration of the workflow parameters. + +Currently, our workflow is set up to accept several parameter values via the command-line, with default values set in the workflow script itself. +This is fine for a simple workflow with very few parameters that need to be set for a given run. +However, many real-world workflows will have many more parameters that may be run-specific, and putting all of them in the command line would be tedious and error-prone. + +Nextflow allows us to specify parameters via a parameter file in JSON format, which makes it very convenient to manage and distribute alternative sets of default values, for example, as well as run-specific parameter values. + +We provide an example parameter file in the current directory, called `test-params.json`: + +```json title="test-params.json" linenums="1" +{ + "greeting": "greetings.csv", + "batch": "Trio", + "character": "turkey" +} +``` + +This parameter file contains a key-value pair for each of the inputs our workflow expects. + +### 3.1. Run the workflow using a parameter file + +To run the workflow with this parameter file, simply add `-params-file ` to the base command. + +```bash +nextflow run hello-config.nf -params-file test-params.json +``` + +It works! And as expected, this produces the same outputs as previously. + +```console title="Output" + N E X T F L O W ~ version 25.04.3 + +Launching `hello-config.nf` [disturbed_sammet] DSL2 - revision: ede9037d02 + +executor > local (8) +[f0/35723c] sayHello (2) | 3 of 3 ✔ +[40/3efd1a] convertToUpper (3) | 3 of 3 ✔ +[17/e97d32] collectGreetings | 1 of 1 ✔ +[98/c6b57b] cowpy | 1 of 1 ✔ +There were 3 greetings in this batch +``` + +This may seem like overkill when you only have a few parameters to specify, but some pipelines expect dozens of parameters. +In those cases, using a parameter file will allow us to provide parameter values at runtime without having to type massive command lines and without modifying the workflow script. + +### Takeaway + +You know how to manage parameter defaults and override them at runtime using a parameter file. + +### What's next? + +Learn how to use profiles to conveniently switch between alternative configurations. + +--- + +## 4. Determine what executor(s) should be used to do the work + +Until now, we have been running our pipeline with the local executor. +This executes each task on the machine that Nextflow is running on. +When Nextflow begins, it looks at the available CPUs and memory. +If the resources of the tasks ready to run exceed the available resources, Nextflow will hold the last tasks back from execution until one or more of the earlier tasks have finished, freeing up the necessary resources. + +For very large workloads, you may discover that your local machine is a bottleneck, either because you have a single task that requires more resources than you have available, or because you have so many tasks that waiting for a single machine to run them would take too long. +The local executor is convenient and efficient, but is limited to that single machine. +Nextflow supports [many different execution backends](https://www.nextflow.io/docs/latest/executor.html), including HPC schedulers (Slurm, LSF, SGE, PBS, Moab, OAR, Bridge, HTCondor and others) as well as cloud execution backends such (AWS Batch, Google Cloud Batch, Azure Batch, Kubernetes and more). + +Each of these systems uses different technologies, syntaxes and configurations for defining how a job should be defined. For example, /if we didn't have Nextflow/, a job requiring 8 CPUs and 4GB of RAM to be executed on the queue "my-science-work" would need to include the following configuration on SLURM and submit the job using `sbatch`: + +```bash +#SBATCH -o /path/to/my/task/directory/my-task-1.log +#SBATCH --no-requeue +#SBATCH -c 8 +#SBATCH --mem 4096M +#SBATCH -p my-science-work +``` + +If I wanted to make the workflow available to a colleague running on PBS, I'd need to remember to use a different submission program `qsub` and I'd need to change my scripts to use a new syntax for resources: + +```bash +#PBS -o /path/to/my/task/directory/my-task-1.log +#PBS -j oe +#PBS -q my-science-work +#PBS -l nodes=1:ppn=5 +#PBS -l mem=4gb +``` + +If I wanted to use SGE, the configuration would be slightly different again: + +```bash +#$ -o /path/to/my/task/directory/my-task-1.log +#$ -j y +#$ -terse +#$ -notify +#$ -q my-science-work +#$ -l slots=5 +#$ -l h_rss=4096M,mem_free=4096M +``` + +Running on a single cloud execution engine would require a new approach again, likely using an SDK that uses the cloud platform's APIs. + +Nextflow makes it easy to write a single workflow that can be run on each of these different infrastructures and systems, without having to modify the workflow. +The executor is subject to a process directive called `executor`. +By default it is set to `local`, so the following configuration is implied: + +```groovy title="Built-in configuration" +process { + executor = 'local' +} +``` + +### 4.1. Targeting a different backend + +By default, this training environment does not include a running HPC schedulder, but if you were running on a system with SLURM installed, for example, you can have Nextflow convert the `cpus`, `memory`, `queue` and other process directives into the correct syntax at runtime by adding following lines to the `nextflow.config` file: + +```groovy title="nextflow.config" +process { + executor = 'slurm' +} +``` + +And... that's it! As noted before, this does assume that Slurm itself is already set up for you, but this is really all Nextflow itself needs to know. + +Basically we are telling Nextflow to generate a Slurm submission script and submit it using an `sbatch` command. + +### Takeaway + +You now know how to change the executor to use different kinds of computing infrastructure. + +### What's next? + +Learn how to control the resources allocated for executing processes. + +--- + +## 5. Use profiles to select preset configurations + +You may want to switch between alternative settings depending on what computing infrastructure you're using. For example, you might want to develop and run small-scale tests locally on your laptop, then run full-scale workloads on HPC or cloud. + +Nextflow lets you set up profiles that describe different configurations, which you can then select at runtime using a command-line argument, rather than having to modify the configuration file itself. + +### 5.1. Create profiles for switching between local development and execution on HPC + +Let's set up two alternative profiles; one for running small scale loads on a regular computer, where we'll use Docker containers, and one for running on a university HPC with a Slurm scheduler, where we'll use Conda packages. + +Add the following to your `nextflow.config` file: + +```groovy title="nextflow.config" linenums="3" +profiles { + my_laptop { + process.executor = 'local' + docker.enabled = true + } + univ_hpc { + process.executor = 'slurm' + conda.enabled = true + process.resourceLimits = [ + memory: 750.GB, + cpus: 200, + time: 30.d + ] + } +} +``` + +You see that for the university HPC, we're also specifying resource limitations. + +### 5.2. Run the workflow with a profile + +To specify a profile in our Nextflow command line, we use the `-profile` argument. + +Let's try running the workflow with the `my_laptop` configuration. + +```bash +nextflow run hello-config.nf -profile my_laptop +``` + +This still produces the following output: + +``` + N E X T F L O W ~ version 25.04.3 + +Launching `hello-config.nf` [gigantic_brazil] DSL2 - revision: ede9037d02 + +executor > local (8) +[58/da9437] sayHello (3) | 3 of 3 ✔ +[35/9cbe77] convertToUpper (2) | 3 of 3 ✔ +[67/857d05] collectGreetings | 1 of 1 ✔ +[37/7b51b5] cowpy | 1 of 1 ✔ +There were 3 greetings in this batch +``` + +As you can see, this allows us to toggle between configurations very conveniently at runtime. + +!!! warning + + The `univ_hpc` profile will not run properly in the training environment since we do not have access to a Slurm scheduler. + +If in the future we find other elements of configuration that are always co-occurring with these, we can simply add them to the corresponding profile(s). +We can also create additional profiles if there are other elements of configuration that we want to group together. + +### 5.3. Create a test profile + +Profiles are not only for infrastructure configuration. +We can also use them to set default values for workflow parameters, to make it easier for others to try out the workflow without having to gather appropriate input values themselves. +This is intended as an alternative to using a parameter file. + +The syntax for expressing default values is the same as when writing them into the workflow file itself, except we wrap them in a block named `test`: + +```groovy title="Syntax example" + test { + params. + params. + ... + } +``` + +If we add a test profile for our workflow, the `profiles` block becomes: + +```groovy title="nextflow.config" linenums="4" +profiles { + my_laptop { + process.executor = 'local' + docker.enabled = true + } + univ_hpc { + process.executor = 'slurm' + conda.enabled = true + process.resourceLimits = [ + memory: 750.GB, + cpus: 200, + time: 30.d + ] + } + test { + params.greeting = 'greetings.csv' + params.batch = 'test-batch' + params.character = 'turkey' + } +} +``` + +Just like for technical configuration profiles, you can set up multiple different profiles specifying parameters under any arbitrary name you like. + +### 5.4. Run the workflow locally with the test profile + +Conveniently, profiles are not mutually exclusive, so we can specify multiple profiles in our command line using the following syntax `-profile ,` (for any number of profiles). + +!!! note + + If you combine profiles that set values for the same elements of configuration and are described in the same configuration file, Nextflow will resolve the conflict by using whichever value it read in last (_i.e._ whatever comes later in the file). + If the conflicting settings are set in different configuration sources, the default [order of precedence](https://www.nextflow.io/docs/latest/config.html) applies. + +Let's try adding the test profile to our previous command: + +```bash +nextflow run hello-config.nf -profile my_laptop,test +``` + +This should produce the following: + +```console title="Output" + N E X T F L O W ~ version 25.04.3 + +Launching `hello-config.nf` [gigantic_brazil] DSL2 - revision: ede9037d02 + +executor > local (8) +[58/da9437] sayHello (3) | 3 of 3 ✔ +[35/9cbe77] convertToUpper (2) | 3 of 3 ✔ +[67/857d05] collectGreetings | 1 of 1 ✔ +[37/7b51b5] cowpy | 1 of 1 ✔ +There were 3 greetings in this batch +``` + + + +This means that as long as we distribute any test data files with the workflow code, anyone can quickly try out the workflow without having to supply their own inputs via the command line or a parameter file. + +!!! note + + We can even point to URLs for larger files that are stored externally. + Nextflow will download them automatically as long as there is an open connection. + +### Takeaway + +You know how to use profiles to select a preset configuration at runtime with minimal hassle. More generally, you know how to configure your workflow executions to suit different compute platforms and enhance the reproducibility of your analyses. + +### What's next? + +TODO: update next steps diff --git a/docs/nextflow_run/03_nf-core.md b/docs/nextflow_run/04_nf-core.md similarity index 100% rename from docs/nextflow_run/03_nf-core.md rename to docs/nextflow_run/04_nf-core.md diff --git a/docs/nextflow_run/04_seqera.md b/docs/nextflow_run/05_seqera.md similarity index 100% rename from docs/nextflow_run/04_seqera.md rename to docs/nextflow_run/05_seqera.md diff --git a/docs/nextflow_run/index.md b/docs/nextflow_run/index.md index 934bf77f4..a0210222f 100644 --- a/docs/nextflow_run/index.md +++ b/docs/nextflow_run/index.md @@ -8,7 +8,7 @@ hide: Hello! You are now on the path to running reproducible and scalable scientific workflows using Nextflow. -[TODO] NEED TO DISTINGUISH CLEARLY FROM HELLO NEXTFLOW +TODO: Improve overview to differentiate from Hello Nextflow The rise of big data has made it increasingly necessary to be able to analyze and perform experiments on large datasets in a portable and reproducible manner. Parallelization and distributed computing are the best ways to tackle this challenge, but the tools commonly available to computational scientists often lack good support for these techniques, or they provide a model that fits poorly with the needs of computational scientists. Nextflow was particularly created to address these challenges. @@ -27,7 +27,7 @@ By the end of this workshop you will be able to: - Launch a Nextflow workflow locally - Find and interpret outputs (results) and log files generated by Nextflow - Troubleshoot basic issues -- [TODO] +- TODO: update summary of learnings once content is final ## Audience & prerequisites From a3f06ca6c18f79b919f3ad89b75b2fc4fd3aa2df Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 07:14:04 -0400 Subject: [PATCH 06/49] fix headers --- docs/nextflow_run/02_pipeline.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index a48e8ffe7..be9db5874 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -631,14 +631,14 @@ A **container** is a lightweight, standalone, executable unit of software create We teach this using the technology [Docker](https://www.docker.com/get-started/), but Nextflow supports [several other container technologies](https://www.nextflow.io/docs/latest/container.html#) as well. -## 4.1. Use a container directly +### 4.1. Use a container directly First, let's try interacting with a container directly. This will help solidify your understanding of what containers are before we start using them in Nextflow. TODO: clone the content from hello_containers.md -## 4.2. Use a container in a workflow +### 4.2. Use a container in a workflow TODO: clone the content from hello_containers.md From dbf4bcf7c4e3240c44e994c79e5d3798a69fde13 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 07:17:48 -0400 Subject: [PATCH 07/49] add new course --- mkdocs.yml | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/mkdocs.yml b/mkdocs.yml index acf974a30..a4316c059 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -10,6 +10,12 @@ nav: - envsetup/01_setup.md - envsetup/02_local.md - envsetup/03_devcontainer.md + - Nextflow Run: + - nextflow_run/index.md + - nextflow_run/00_orientation.md + - nextflow_run/01_basics.md + - nextflow_run/02_pipeline.md + - nextflow_run/03_config.md - Hello Nextflow: - hello_nextflow/index.md - hello_nextflow/00_orientation.md @@ -183,6 +189,7 @@ plugins: - enumerate-headings: restart_increment_after: - envsetup/01_setup.md + - nextflow_run/00_orientation.md - hello_nextflow/00_orientation.md - hello_nf-core/00_orientation.md - nf4_science/genomics/00_orientation.md From 192024ae1c2e691d2e5b1763fc9e54af455fbe97 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 07:23:27 -0400 Subject: [PATCH 08/49] Minor updates --- docs/nextflow_run/00_orientation.md | 2 +- docs/nextflow_run/index.md | 2 +- mkdocs.yml | 1 + 3 files changed, 3 insertions(+), 2 deletions(-) diff --git a/docs/nextflow_run/00_orientation.md b/docs/nextflow_run/00_orientation.md index 134507fdc..a5aef8fd4 100644 --- a/docs/nextflow_run/00_orientation.md +++ b/docs/nextflow_run/00_orientation.md @@ -33,7 +33,7 @@ If you run this inside `nextflow-run`, you should see the following output: [TOD **Here's a summary of what you should know to get started:** -[TODO] +TODO: update when content is final !!!tip diff --git a/docs/nextflow_run/index.md b/docs/nextflow_run/index.md index a0210222f..ea21cb1ae 100644 --- a/docs/nextflow_run/index.md +++ b/docs/nextflow_run/index.md @@ -1,5 +1,5 @@ --- -title: Run Nextflow +title: Nextflow Run hide: - toc --- diff --git a/mkdocs.yml b/mkdocs.yml index a4316c059..7d59f8fd1 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -202,6 +202,7 @@ plugins: - index*.md - help*.md - envsetup/*.md + - nextflow_run/*.md - hello_nextflow/*.md - hello_nf-core/*.md - nf4_science/genomics/*.md From ec5e5266b2d5206ac101a43d53da71698258817d Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 07:35:59 -0400 Subject: [PATCH 09/49] attempt to fix issue with rendering --- docs/nextflow_run/01_basics.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index a42d81eee..96aebe8bd 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -297,7 +297,7 @@ Let's look at a slightly upgraded version of our Hello World workflow called `he This time we're going to look at the code _before_ we run it. As you can see, we've highlighted the differences compared to the previous version. -```groovy title="hello-world-plus.nf" linenums="1" hl_lines="8,10-11,22-25,30" +```groovy title="hello-world-plus.nf" linenums="1" #!/usr/bin/env nextflow /* From e062ad1a1bb1754669aa167aeadfbc81cf305e18 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 20 Jun 2025 07:42:29 -0400 Subject: [PATCH 10/49] second fix --- docs/nextflow_run/02_pipeline.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index be9db5874..146b39752 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -97,9 +97,9 @@ Yes! We see all three expected outputs, conveniently with differentiating names. ### 1.4. Examine the code -Now let's take a look at what has changed in the workflow code. +Let's take a look at what has changed in the workflow code. -```groovy title="channels.nf" linenums="1" hl_lines="14,18,25,29-32,35" +```groovy title="channels.nf" linenums="1" #!/usr/bin/env nextflow /* From 6803cd7fa06913b0f97fb3e4ec45ec8138823a08 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Thu, 3 Jul 2025 18:21:35 -0400 Subject: [PATCH 11/49] Streamlined the basic operations section --- docs/nextflow_run/01_basics.md | 266 ++++++++++++++------------------- 1 file changed, 110 insertions(+), 156 deletions(-) diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index 96aebe8bd..4937418d2 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -71,7 +71,7 @@ Find out what it takes to run a Nextflow workflow that achieves the same result. ## 1. Run the workflow -We provide you with a workflow script named `hello-world.nf` that produces a text file containing the greeting 'Hello World!'. +We provide you with a workflow script named `hello-world.nf` that takes an input via a command-line argument named `--greeting` and produces a text file containing that greeting. We're not going to look at the code yet; first let's see what it looks like to run it. ### 1.1. Launch the workflow and monitor execution @@ -79,7 +79,7 @@ We're not going to look at the code yet; first let's see what it looks like to r In the terminal, run the following command: ```bash -nextflow run hello-world.nf +nextflow run hello-world.nf --greeting 'Hello World!' ``` You console output should look something like this: @@ -103,18 +103,58 @@ The most important output here is the last line (line 6): This tells us that the `sayHello` process was successfully executed once (`1 of 1 ✔`). -Importantly, this line also tells you where to find the output of the `sayHello` process call. -Let's look at that now. +That's great, but you may be wondering: where is the output? -### 1.2. Find the output and logs in the `work` directory +### 1.2. Find the output file in the `results` directory -When you run Nextflow for the first time in a given directory, it creates a directory called `work` where it will write all files (and any symlinks) generated in the course of execution. +This workflow is configured to publish its output to a directory called `results`. +If you look at your current directory, you will see that when you ran the workflow, Nextflow created a new directory called `results`, which contains a file called `output.txt`: -Within the `work` directory, Nextflow organizes outputs and logs per process call. -For each process call, Nextflow creates a nested subdirectory, named with a hash in order to make it unique, where it will stage all necessary inputs (using symlinks by default), write helper files, and write out logs and any outputs of the process. +```bash +tree results +``` + +```console title="Output" linenums="1" +TODO +``` + +Open the file; the contents should match the string you specified on the command line. +That's great, our workflow did what it was supposed to do! + +However, it's important to know that the 'published' result is a copy (or in some cases a symlink) of the actual output produced by Nextflow when it executed the workflow. + +So now, we are going to peek under the hood to see where Nextflow actually executed the work. + +!!! warn + + Not all workflows will be set up to publish outputs to a results directory, and/or the directory name may be different. + A little further in this section, we will show you how to find out where this behavior is specified. + +### 1.3. Find the original output and logs in the `work/` directory + +When you run a workflow, Nextflow creates a distinct 'task directory' for every single invocation of each process in the workflow (=every step in the pipeline). +For each one, it will stage the necessary inputs, execute the relevant instruction(s) and write outputs and log files within that one directory, which is named automatically using a hash in order to make it unique. + +All of these task directories will live under a directory called `work` within your current directory (where you're running the command). + +That may sound confusing, so let's see what that looks like in practice. + +Going back to the console output for the workflow we ran earlier, we had this line: + +```console title="Output" linenums="6" +[a3/7be2fa] sayHello | 1 of 1 ✔ +``` + +See how the line starts with `[a3/7be2fa]`? +That is a truncated form of the task directory path for that one process call, and tells you where to find the output of the `sayHello` process call within the `work/` directory path. -The path to that subdirectory is shown in truncated form in square brackets in the console output. -Looking at what we got for the run shown above, the console log line for the sayHello process starts with `[a3/7be2fa]`. That corresponds to the following directory path: `work/a3/7be2fa7be2fad5e71e5f49998f795677fd68` +You can find the full path by typing the following command (replacing `a3/7be2fa` with what you see in your own terminal) and pressing the tab key to autocomplete the path or adding an asterisk: + +```bash +ls work/a3/7be2fa* +``` + +This should yield the full path directory path: `work/a3/7be2fa7be2fad5e71e5f49998f795677fd68` Let's take a look at what's in there. @@ -143,7 +183,16 @@ work └── output.txt ``` -These are the helper and log files: +You should immediately recognize the `output.txt` file, which is in fact the original output of the `sayHello` process that got published to the `results` directory. +If you open it, you will find the `Hello World!` greeting. + +```console title="output.txt" linenums="1" +Hello World! +``` + +So what about all those other files? + +These are the helper and log files that Nextflow wrote as part of the task execution: - **`.command.begin`**: Metadata related to the beginning of the execution of the process call - **`.command.err`**: Error messages (`stderr`) emitted by the process call @@ -154,15 +203,17 @@ These are the helper and log files: - **`.exitcode`**: The exit code resulting from the command The `.command.sh` file is especially useful because it tells you what command Nextflow actually executed. + +TODO: show the `command.sh` contents + In this case it's very straightforward, but later in the course you'll see commands that involve some interpolation of variables. When you're dealing with that, you need to be able to check exactly what was run, especially when troubleshooting an issue. -The actual output of the `sayHello` process is `output.txt`. -Open it and you will find the `Hello World!` greeting, which was the expected result of our minimalist workflow. +TODO: conclude with a short note about why the work/... structure + why publishDir makes it easier -```console title="output.txt" linenums="1" -Hello World! -``` +### 1.4. Optional exercise: re-run with different greetings + +Try re-running the workflow a few times with different values for the `--greeting` argument to see how the outputs and logs of isolated task directories are preserved, whereas the contents of the `results` directory are overwritten by the output of subsequent executions. ### Takeaway @@ -177,7 +228,9 @@ Learn how to read a basic Nextflow script and identify how its components relate ## 2. Examine the Hello World workflow starter script What we did there was basically treating the workflow script like a black box. -Now that we've seen what it does, let's open the box and look inside at how the code is organized. +Now that we've seen what it does, let's open the box and look inside. + +_The goal here is not to memorize the syntax of Nextflow code, but to form some basic intuition of what are the main components and how they are organized._ ### 2.1. Examine the overall code structure @@ -192,23 +245,28 @@ Let's open the `hello-world.nf` script in the editor pane. #!/usr/bin/env nextflow /* - * Use echo to print 'Hello World!' to a file + * Use echo to print a greeting to a file */ process sayHello { + publishDir 'results', mode: 'copy' + + input: + val greeting + output: path 'output.txt' script: """ - echo 'Hello World!' > output.txt + echo '$greeting' > output.txt """ } workflow { // emit a greeting - sayHello() + sayHello(params.greeting) } ``` @@ -223,28 +281,34 @@ The first block of code describes a **process**. The process definition starts with the keyword `process`, followed by the process name and finally the process body delimited by curly braces. The process body must contain a script block which specifies the command to run, which can be anything you would be able to run in a command line terminal. -Here we have a **process** called `sayHello` that writes its **output** to a file named `output.txt`. +Here we have a **process** called `sayHello` that takes an **input** variable called `greeting` and writes its **output** to a file named `output.txt`. ```groovy title="hello-world.nf" linenums="3" /* - * Use echo to print 'Hello World!' to a file + * Use echo to print a greeting to a file */ process sayHello { + publishDir 'results', mode: 'copy' + + input: + val greeting + output: path 'output.txt' script: """ - echo 'Hello World!' > output.txt + echo '$greeting' > output.txt """ } ``` -This is a very minimal process definition that just contains an `output` definition and the `script` to execute. +This is a very minimal process definition that just contains an `input` definition, an `output` definition and the `script` to execute. + +The `input` definition includes the `val` qualifier, which tells Nextflow to expect a value of some kind (can be a string, a number, whatever). The `output` definition includes the `path` qualifier, which tells Nextflow this should be handled as a path (includes both directory paths and files). -Another common qualifier is `val`. !!! note @@ -261,69 +325,10 @@ In a real-world pipeline, a process usually contains additional blocks such as d The second block of code describes the **workflow** itself. The workflow definition starts with the keyword `workflow`, followed by an optional name, then the workflow body delimited by curly braces. -Here we have a **workflow** that consists of one call to the `sayHello` process. - -```groovy title="hello-world.nf" linenums="17" -workflow { - - // emit a greeting - sayHello() -} -``` - -This is a very minimal **workflow** definition. -In a real-world pipeline, the workflow typically contains multiple calls to **processes** connected by **channels**, and the processes expect one or more variable **input(s)**. - -We'll look into that next. - -### Takeaway - -You now know how a simple Nextflow workflow is structured and how the basic components relate to its functionality. - -### What's next? - -Learn to recognize and utilize two more key features of real-world pipelines: inputs parameters and the `publishDir` directive, which provide flexibility for managing inputs and outputs, respectively. - ---- - -## 3. A more flexible Hello World - -An important requirement of real-world pipelines is to be able to feed inputs to the workflow from the command-line, and be able to retrieve outputs efficiently. - -Let's look at a slightly upgraded version of our Hello World workflow called `hello-world-plus.nf` that accepts an arbitrary greeting string from the command-line and writes its output to a more easily accessible directory. - -### 3.1. Examine the code of the upgraded workflow - -This time we're going to look at the code _before_ we run it. -As you can see, we've highlighted the differences compared to the previous version. - -```groovy title="hello-world-plus.nf" linenums="1" -#!/usr/bin/env nextflow - -/* - * Use echo to print 'Hello World!' to a file - */ -process sayHello { - - publishDir 'results', mode: 'copy' - - input: - val greeting - - output: - path 'output.txt' - - script: - """ - echo '$greeting' > output.txt - """ -} - -/* - * Pipeline parameters - */ -params.greeting = 'Holà mundo!' +Here we have a **workflow** that consists of one call to the `sayHello` process, which takes an input, `params.greeting`, which holds the value we gave to the `--greeting` parameter. +. +```groovy title="hello-world.nf" linenums="22" workflow { // emit a greeting @@ -331,81 +336,26 @@ workflow { } ``` -That may seem like a lot, so let's break it down. - -#### 3.1.1. Variable inputs - -First let's look at the components that allow us to pass an input from command-line. - -In the process definition, we now have an input block that specifies a value called 'greeting'. - -```groovy title="hello-world-plus.nf" linenums="10" - input: - val greeting -``` - -That tells Nextflow that the `sayHello()` process now expects an input value. - -Below that, we have a `params` definition that sepcifies a command-line parameter called `greeting`, with the default value set to `Holà mundo!`: - -```groovy title="hello-world-plus.nf" linenums="25" -params.greeting = 'Holà mundo!' -``` - -And finally, bringing it all together in the `workflow` block, we are now giving the `sayHello()` process call an input, which is the `greeting` parameter defined above: - -```groovy title="hello-world-plus.nf" linenums="29" - // emit a greeting - sayHello(params.greeting) -``` - -This means we'll be able to set a greeting from the command-line using `--greeting` as a parameter name. -You'll see that in action in a minute. - -#### 3.1.2. Conveniently accessible outputs - -The other notable addition here is just one line, but it's an important one: - -```groovy title="hello-world-plus.nf" linenums="8" - publishDir 'results', mode: 'copy' -``` - -This is a directive that tells Nextflow to write a copy of the output to the specified directory. -Here we've called it `results` but you can call it anything you want. - -It is possible to use a symbolic link instead of copying the file; this will be discussed later. - -### 3.2. Run the upgraded workflow - -Let's see that in action! -In your terminal, run the following command. - -```bash -nextflow run hello-world-plus.nf --greeting 'Bonjour le monde' -``` +This is a very minimal **workflow** definition. +In a real-world pipeline, the workflow typically contains multiple calls to **processes** connected by **channels**, and there may be default values set up for the variable inputs. -You console output should look something like this: +We'll look into that in the next section of the course. -```console title="Output" linenums="1" - N E X T F L O W ~ version 24.10.0 +### 2.4. The `params` system of command-line parameters -Launching `hello-world-plus.nf` [goofy_torvalds] DSL2 - revision: c33d41f479 +The `params.greeting` we provide to the `sayHello()` process call is a very neat bit of Nextflow code and is worth spending an extra minute on. -executor > local (1) -[a3/7be2fa] sayHello | 1 of 1 ✔ -``` +As mentioned above, that's how we pass the value of the `--greeting` command-line parameter to the `sayHello()` process call. +In fact, simply declaring `params.someParameterName` will enable us to give the workflow a parameter named `--someParameterName` from the command-line. -You should see a new directory called `results` appear. -Look inside and you will find your `output.txt file. -The contents should match the string you specified on the command line. -If try running this again without specifying the `--greeting` parameter, the output should match the default value specified in the workflow script. +!!! note -In any case, it should match the output that is produced in the work subdirectory. -This is how we publish results files outside of the working directories conveniently. + These workflow parameters declared using the `params` system always take two dashes (`--`). + This distinguishes them from Nextflow-level parameters, which only take one dash (`-`). ### Takeaway -You now know how input parameters, and the `publishDir` directive provide flexibility for managing inputs and outputs. +You now know how a simple Nextflow workflow is structured, and how the basic components relate to its functionality. ### What's next? @@ -413,13 +363,13 @@ Learn to manage your workflow executions conveniently. --- -## 4. Manage workflow executions +## 3. Manage workflow executions Knowing how to launch workflows and retrieve outputs is great, but you'll quickly find there are a few other aspects of workflow management that will make your life easier. Here we show you how to take advantage of the `resume` feature for when you need to re-launch the same workflow, and how to delete older work directories with `nextflow clean`. -### 4.1. Re-launch a workflow with `-resume` +### 3.1. Re-launch a workflow with `-resume` Sometimes, you're going to want to re-run a pipeline that you've already launched previously without redoing any steps that already completed successfully. @@ -457,7 +407,11 @@ Nextflow is literally pointing you to the previous execution and saying "I alrea When your re-run a pipeline with `resume`, Nextflow does not overwrite any files written to a `publishDir` directory by any process call that was previously run successfully. -### 4.2. Delete older work directories +### 3.2. Inspect the log of past executions + +TODO: demonstrate the use of the `nextflow log` command + +### 3.3. Delete older work directories During the development process, you'll typically run your draft pipelines a large number of times, which can lead to an accumulation of very many files across many subdirectories. Since the subdirectories are named randomly, it is difficult to tell from their names what are older vs. more recent runs. From 8a80314caafa821ffe2482dbfece029665a83807 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 4 Jul 2025 15:50:24 -0400 Subject: [PATCH 12/49] Added nextflow log and finished streamlining --- docs/nextflow_run/01_basics.md | 101 +++++++++++++++++++++++-------- nextflow-run/hello-world-plus.nf | 31 ---------- nextflow-run/hello-world.nf | 9 ++- 3 files changed, 84 insertions(+), 57 deletions(-) delete mode 100644 nextflow-run/hello-world-plus.nf diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index 4937418d2..9289dff61 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -13,7 +13,7 @@ Let's demonstrate this with a simple command that we run directly in the termina !!! tip - Remember that you should now be inside the `hello-nextflow/` directory as described in the Orientation. + Remember that you should now be inside the `nextflow-run/` directory as described in the Orientation. ### 0.1. Make the terminal say hello @@ -85,7 +85,7 @@ nextflow run hello-world.nf --greeting 'Hello World!' You console output should look something like this: ```console title="Output" linenums="1" - N E X T F L O W ~ version 24.10.0 + N E X T F L O W ~ version 25.04.3 Launching `hello-world.nf` [goofy_torvalds] DSL2 - revision: c33d41f479 @@ -115,13 +115,19 @@ tree results ``` ```console title="Output" linenums="1" -TODO +results +└── output.txt ``` Open the file; the contents should match the string you specified on the command line. + +```console title="results/output.txt" linenums="1" +Hello World! +``` + That's great, our workflow did what it was supposed to do! -However, it's important to know that the 'published' result is a copy (or in some cases a symlink) of the actual output produced by Nextflow when it executed the workflow. +However, be aware that the 'published' result is a copy (or in some cases a symlink) of the actual output produced by Nextflow when it executed the workflow. So now, we are going to peek under the hood to see where Nextflow actually executed the work. @@ -184,9 +190,9 @@ work ``` You should immediately recognize the `output.txt` file, which is in fact the original output of the `sayHello` process that got published to the `results` directory. -If you open it, you will find the `Hello World!` greeting. +If you open it, you will find the `Hello World!` greeting again. -```console title="output.txt" linenums="1" +```console title="work/a3/7be2fa7be2fad5e71e5f49998f795677fd68/output.txt" linenums="1" Hello World! ``` @@ -204,16 +210,23 @@ These are the helper and log files that Nextflow wrote as part of the task execu The `.command.sh` file is especially useful because it tells you what command Nextflow actually executed. -TODO: show the `command.sh` contents +```console title="work/a3/7be2fa7be2fad5e71e5f49998f795677fd68/command.sh" linenums="1" +#!/bin/bash -ue +echo 'Hello World!' > output.txt -In this case it's very straightforward, but later in the course you'll see commands that involve some interpolation of variables. -When you're dealing with that, you need to be able to check exactly what was run, especially when troubleshooting an issue. +``` -TODO: conclude with a short note about why the work/... structure + why publishDir makes it easier +So this confirms that the workflow composed the same command we ran directly on the command-line earlier. + +!!! note + + When something goes wrong and you need to troubleshoot what happened, it can be useful to look at the `command.sh` script to check exactly what command Nextflow composed based on the workflow instructions, variable interpolation and so on. ### 1.4. Optional exercise: re-run with different greetings -Try re-running the workflow a few times with different values for the `--greeting` argument to see how the outputs and logs of isolated task directories are preserved, whereas the contents of the `results` directory are overwritten by the output of subsequent executions. +Try re-running the workflow a few times with different values for the `--greeting` argument, then look at both the contents of the `results/` directory and the task directories. + +Observe how the outputs and logs of isolated task directories are preserved, whereas the contents of the `results` directory are overwritten by the output of subsequent executions. ### Takeaway @@ -339,11 +352,11 @@ workflow { This is a very minimal **workflow** definition. In a real-world pipeline, the workflow typically contains multiple calls to **processes** connected by **channels**, and there may be default values set up for the variable inputs. -We'll look into that in the next section of the course. +We'll look into that in Part 2 of the course. ### 2.4. The `params` system of command-line parameters -The `params.greeting` we provide to the `sayHello()` process call is a very neat bit of Nextflow code and is worth spending an extra minute on. +The `params.greeting` we provide to the `sayHello()` process call is a neat bit of Nextflow code and is worth spending an extra minute on. As mentioned above, that's how we pass the value of the `--greeting` command-line parameter to the `sayHello()` process call. In fact, simply declaring `params.someParameterName` will enable us to give the workflow a parameter named `--someParameterName` from the command-line. @@ -367,11 +380,11 @@ Learn to manage your workflow executions conveniently. Knowing how to launch workflows and retrieve outputs is great, but you'll quickly find there are a few other aspects of workflow management that will make your life easier. -Here we show you how to take advantage of the `resume` feature for when you need to re-launch the same workflow, and how to delete older work directories with `nextflow clean`. +Here we show you how to take advantage of the `resume` feature for when you need to re-launch the same workflow, how to inspect the execution logs with `nextflow log`, and how to delete older work directories with `nextflow clean`. ### 3.1. Re-launch a workflow with `-resume` -Sometimes, you're going to want to re-run a pipeline that you've already launched previously without redoing any steps that already completed successfully. +Sometimes, you're going to want to re-run a pipeline that you've already launched previously without redoing any work that was already completed successfully. Nextflow has an option called `-resume` that allows you to do this. Specifically, in this mode, any processes that have already been run with the exact same code, settings and inputs will be skipped. @@ -391,7 +404,7 @@ nextflow run hello-world-plus.nf -resume The console output should look similar. ```console title="Output" linenums="1" - N E X T F L O W ~ version 24.10.0 + N E X T F L O W ~ version 25.04.3 Launching `hello-world-plus.nf` [golden_cantor] DSL2 - revision: 35bd3425e5 @@ -409,7 +422,41 @@ Nextflow is literally pointing you to the previous execution and saying "I alrea ### 3.2. Inspect the log of past executions -TODO: demonstrate the use of the `nextflow log` command +Whenever you launch a nextflow workflow, a line gets written to a log file called `history`, under a hidden directory called `.nextflow` in the current working directory. + +If you open it, the contents should look something like this: + +```console title=".nextflow/history" linenums="1" +2025-07-04 19:27:09 1.8s wise_watson OK 3539118582ccde68dde471cc2c66295c a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello-world.nf --greeting 'Hello World' +2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582ccde68dde471cc2c66295c 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello-world.nf --greeting Bonjour +2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582ccde68dde471cc2c66295c 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello-world.nf --greeting 'Dobry den' +2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello-world.nf --greeting Konnichiwa +2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello-world.nf --greeting Konnichiwa -resume +``` + +This gives you the timestamp, run name, status, revision ID, session ID and full command line for every Nextflow run that has been launched from within the current working directory. + +A more convenient way to access this information is to use the `nextflow log` command. + +```bash +nextflow log +``` + +This will output the contents of the log file to the terminal, augmented with a header line: + +```console title="Output" linenums="1" +TIMESTAMP DURATION RUN NAME STATUS REVISION ID SESSION ID COMMAND +2025-07-04 19:27:09 1.8s wise_watson OK 3539118582 a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello-world.nf --greeting 'Hello World' +2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello-world.nf --greeting Bonjour +2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello-world.nf --greeting 'Dobry den' +2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello-world.nf --greeting Konnichiwa +2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello-world.nf --greeting Konnichiwa -resume +``` + +You'll notice that the session ID changes whenever you run a new `nextflow run` command, EXCEPT if you're using the `-resume` option. +In that case, the session ID stays the same. + +Nextflow uses the session ID to group run caching information under the `cache` directory, also located under `.nextflow`. ### 3.3. Delete older work directories @@ -419,18 +466,22 @@ Since the subdirectories are named randomly, it is difficult to tell from their Nextflow includes a convenient `clean` subcommand that can automatically delete the work subdirectories for past runs that you no longer care about, with several [options](https://www.nextflow.io/docs/latest/reference/cli.html#clean) to control what will be deleted. Here we show you an example that deletes all subdirectories from runs before a given run, specified using its run name. -The run name is the machine-generated two-part string shown in square brackets in the `Launching (...)` console output line. +The run name is the machine-generated two-part string shown in square brackets in the `Launching (...)` console output line, which we also saw recorded in the Nextflow log that we looked at earlier. + +You can use the Nextflow log to look up a run based on its timestamp and/or command line. -First we use the dry run flag `-n` to check what will be deleted given the command: +Once we have that, first we try the `nextflow clean` command using the dry run flag `-n` to check what will be deleted: ```bash -nextflow clean -before golden_cantor -n +nextflow clean -before backstabbing_swartz -n ``` The output should look like this: ```console title="Output" -Would remove /workspaces/training/nextflow-run/work/a3/7be2fad5e71e5f49998f795677fd68 +Would remove /workspaces/training/hello-nextflow/work/eb/1a5de36637b475afd88fca7f79e024 +Would remove /workspaces/training/hello-nextflow/work/6b/19b0e002ea13486d3a0344c336c1d0 +Would remove /workspaces/training/hello-nextflow/work/45/9a6dd7ab771f93003d040956282883 ``` If you don't see any lines output, you either did not provide a valid run name or there are no past runs to delete. @@ -438,13 +489,15 @@ If you don't see any lines output, you either did not provide a valid run name o If the output looks as expected and you want to proceed with the deletion, re-run the command with the `-f` flag instead of `-n`: ```bash -nextflow clean -before golden_cantor -f +nextflow clean -before backstabbing_swartz -f ``` You should now see the following: ```console title="Output" -Removed /workspaces/training/nextflow-run/work/a3/7be2fad5e71e5f49998f795677fd68 +Removed /workspaces/training/hello-nextflow/work/eb/1a5de36637b475afd88fca7f79e024 +Removed /workspaces/training/hello-nextflow/work/6b/19b0e002ea13486d3a0344c336c1d0 +Removed /workspaces/training/hello-nextflow/work/45/9a6dd7ab771f93003d040956282883 ``` !!! Warning @@ -456,7 +509,7 @@ Removed /workspaces/training/nextflow-run/work/a3/7be2fad5e71e5f49998f795677fd68 ### Takeaway -You know how to relaunch a pipeline without repeating steps that were already run in an identical way, and use the `nextflow clean` command to clean up old work directories. +You know how to relaunch a pipeline without repeating steps that were already run in an identical way, inspect the execution log, and use the `nextflow clean` command to clean up old work directories. ### What's next? diff --git a/nextflow-run/hello-world-plus.nf b/nextflow-run/hello-world-plus.nf deleted file mode 100644 index 6236eea21..000000000 --- a/nextflow-run/hello-world-plus.nf +++ /dev/null @@ -1,31 +0,0 @@ -#!/usr/bin/env nextflow - -/* - * Use echo to print 'Hello World!' to a file - */ -process sayHello { - - publishDir 'results', mode: 'copy' - - input: - val greeting - - output: - path 'output.txt' - - script: - """ - echo '$greeting' > output.txt - """ -} - -/* - * Pipeline parameters - */ -params.greeting = 'Holà mundo!' - -workflow { - - // emit a greeting - sayHello(params.greeting) -} diff --git a/nextflow-run/hello-world.nf b/nextflow-run/hello-world.nf index 4f672da2b..74b4e75b3 100644 --- a/nextflow-run/hello-world.nf +++ b/nextflow-run/hello-world.nf @@ -5,17 +5,22 @@ */ process sayHello { + publishDir 'results', mode: 'copy' + + input: + val greeting + output: path 'output.txt' script: """ - echo 'Hello World!' > output.txt + echo '$greeting' > output.txt """ } workflow { // emit a greeting - sayHello() + sayHello(params.greeting) } From 085e5e21bd27eb4fac42d3f72991b4e669e420c7 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 4 Jul 2025 18:14:39 -0400 Subject: [PATCH 13/49] Update the channels, workflow, modules and containers (pt 1) --- docs/nextflow_run/01_basics.md | 34 +- docs/nextflow_run/02_pipeline.md | 579 +++++++++++++++------- nextflow-run/{channels.nf => channel.nf} | 7 +- nextflow-run/{hello-world.nf => hello.nf} | 0 nextflow-run/{flow.nf => pipeline.nf} | 20 +- 5 files changed, 413 insertions(+), 227 deletions(-) rename nextflow-run/{channels.nf => channel.nf} (81%) rename nextflow-run/{hello-world.nf => hello.nf} (100%) rename nextflow-run/{flow.nf => pipeline.nf} (66%) diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index 9289dff61..b7ba5da01 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -71,7 +71,7 @@ Find out what it takes to run a Nextflow workflow that achieves the same result. ## 1. Run the workflow -We provide you with a workflow script named `hello-world.nf` that takes an input via a command-line argument named `--greeting` and produces a text file containing that greeting. +We provide you with a workflow script named `hello.nf` that takes an input via a command-line argument named `--greeting` and produces a text file containing that greeting. We're not going to look at the code yet; first let's see what it looks like to run it. ### 1.1. Launch the workflow and monitor execution @@ -79,7 +79,7 @@ We're not going to look at the code yet; first let's see what it looks like to r In the terminal, run the following command: ```bash -nextflow run hello-world.nf --greeting 'Hello World!' +nextflow run hello.nf --greeting 'Hello World!' ``` You console output should look something like this: @@ -87,7 +87,7 @@ You console output should look something like this: ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `hello-world.nf` [goofy_torvalds] DSL2 - revision: c33d41f479 +Launching `hello.nf` [goofy_torvalds] DSL2 - revision: c33d41f479 executor > local (1) [a3/7be2fa] sayHello | 1 of 1 ✔ @@ -247,14 +247,14 @@ _The goal here is not to memorize the syntax of Nextflow code, but to form some ### 2.1. Examine the overall code structure -Let's open the `hello-world.nf` script in the editor pane. +Let's open the `hello.nf` script in the editor pane. !!! note The file is in the `hello-nextflow` directory, which should be your current working directory. You can either click on the file in the file explorer, or type `ls` in the terminal and Cmd+Click (MacOS) or Ctrl+Click (PC) on the file to open it. -```groovy title="hello-world.nf" linenums="1" +```groovy title="hello.nf" linenums="1" #!/usr/bin/env nextflow /* @@ -296,7 +296,7 @@ The process body must contain a script block which specifies the command to run, Here we have a **process** called `sayHello` that takes an **input** variable called `greeting` and writes its **output** to a file named `output.txt`. -```groovy title="hello-world.nf" linenums="3" +```groovy title="hello.nf" linenums="3" /* * Use echo to print a greeting to a file */ @@ -341,7 +341,7 @@ The workflow definition starts with the keyword `workflow`, followed by an optio Here we have a **workflow** that consists of one call to the `sayHello` process, which takes an input, `params.greeting`, which holds the value we gave to the `--greeting` parameter. . -```groovy title="hello-world.nf" linenums="22" +```groovy title="hello.nf" linenums="22" workflow { // emit a greeting @@ -427,11 +427,11 @@ Whenever you launch a nextflow workflow, a line gets written to a log file calle If you open it, the contents should look something like this: ```console title=".nextflow/history" linenums="1" -2025-07-04 19:27:09 1.8s wise_watson OK 3539118582ccde68dde471cc2c66295c a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello-world.nf --greeting 'Hello World' -2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582ccde68dde471cc2c66295c 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello-world.nf --greeting Bonjour -2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582ccde68dde471cc2c66295c 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello-world.nf --greeting 'Dobry den' -2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello-world.nf --greeting Konnichiwa -2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello-world.nf --greeting Konnichiwa -resume +2025-07-04 19:27:09 1.8s wise_watson OK 3539118582ccde68dde471cc2c66295c a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello.nf --greeting 'Hello World' +2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582ccde68dde471cc2c66295c 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello.nf --greeting Bonjour +2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582ccde68dde471cc2c66295c 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello.nf --greeting 'Dobry den' +2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa +2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa -resume ``` This gives you the timestamp, run name, status, revision ID, session ID and full command line for every Nextflow run that has been launched from within the current working directory. @@ -446,11 +446,11 @@ This will output the contents of the log file to the terminal, augmented with a ```console title="Output" linenums="1" TIMESTAMP DURATION RUN NAME STATUS REVISION ID SESSION ID COMMAND -2025-07-04 19:27:09 1.8s wise_watson OK 3539118582 a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello-world.nf --greeting 'Hello World' -2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello-world.nf --greeting Bonjour -2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello-world.nf --greeting 'Dobry den' -2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello-world.nf --greeting Konnichiwa -2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello-world.nf --greeting Konnichiwa -resume +2025-07-04 19:27:09 1.8s wise_watson OK 3539118582 a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello.nf --greeting 'Hello World' +2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello.nf --greeting Bonjour +2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello.nf --greeting 'Dobry den' +2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa +2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa -resume ``` You'll notice that the session ID changes whenever you run a new `nextflow run` command, EXCEPT if you're using the `-resume` option. diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 146b39752..9abdda6fc 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -5,16 +5,17 @@ However, most real-world pipelines use more sophisticated features in order to e In this part of the training, we demonstrate key features of real-world pipelines through a set of example workflows that build on the original Hello World pipeline. -## 1. Processing multiple inputs +## 1. Processing input data from a file -Let's start with the question of how to process not a single greeting at a time, but a batch of greetings, to emulate realistic high-throughout data processing. +The `hello.nf` workflow we ran in Part 1 used a command-line parameter (`--greeting`) to provide a single value at a time. +That was a deliberately simplified approach. -The `hello-world-plus.nf` workflow we ran in Part 1 used a command-line parameter to provide a single value at a time, which was passed directly to the process call using `sayHello(params.greeting)`. -That was a deliberately simplified approach that won't work for processing multiple values. +In a real-world pipeline, we typically want to process multiple data points (or data series) contained in one or more input files. +And wherever possible, we want to run the processing of independent data in parallel, to shorten the time spent waiting for analysis. -In order to process multiple values (experimental data for multiple samples, for example), we have to upgrade the workflow to use Nextflow's powerful system of **channels** and **operators**. +To enable this efficiently, Nextflow uses a system of queues called **channels**. -We've prepared a workflow for you that does exactly that, called `channels.nf`, as well as a CSV file called `greetings.csv` containing some input greetings, emulating the kind of columnar data you might want to process in a real data analysis. +To demonstrate this, we've prepared a a CSV file called `greetings.csv` that contains several input greetings, mimicking the kind of columnar data you might want to process in a real data analysis. ```csv title="greetings.csv" linenums="1" Hello,English,123 @@ -22,16 +23,20 @@ Bonjour,French,456 Holà,Spanish,789 ``` -(The numbers are not significant, they are just there for illustrative purposes.) +_The numbers are not meaningful, they are just there for illustrative purposes._ -Let's run the workflow first, and we'll take a look at what has changed in the code after. +And we've written an improved version of the original workflow, now called `channel.nf`, that will read in the CSV file, extract the greetings and write each of them to a separate file. + + + +Let's run the workflow first, and we'll take a look at the relevant Nextflow code afterward. ### 1.1. Run the workflow Run the following command in your terminal. ```bash -nextflow run channels.nf --greeting greetings.csv +nextflow run channel.nf --input greetings.csv ``` This should run without error. @@ -39,67 +44,118 @@ This should run without error. ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `channels.nf` [tiny_heisenberg] DSL2 - revision: 845b471427 +Launching `channel.nf` [mighty_sammet] DSL2 - revision: 29fb5352b3 executor > local (3) -[1a/1d19ab] sayHello (2) | 3 of 3 ✔ +[8e/0eb066] sayHello (2) [100%] 3 of 3 ✔ +``` + +Excitingly, this seems to indicate that '3 of 3' calls were made for the process, which is encouraging, since there were three rows of data in the CSV we provided as input. +This suggests the sayHello() process was called three times, once on each input row. + +### 1.2. Find the outputs in the `results` directory + +Let's look at the 'results' directory to see if our workflow is still writing a copy of our outputs there. + +````console title="results/" linenums="1" +results +├── Bonjour-output.txt +├── Hello-output.txt +└── Holà-output.txt + +Yes! We see three output files with different names, conveniently enough. +(Spoiler: we changed the workflow to name the files differently.) + +You can open each of them to satisfy yourself that they contain the appropriate greeting string. + +```console title="results/Hello-output.txt" +Hello +```` + +```console title="results/Bonjour-output.txt" +Bonjour +``` + +```console title="results/Holà-output.txt" +Holà +``` + +This confirms each greeting in the input file has been processed appropriately. + +### 1.3. Find the original outputs and logs + +You may have noticed that the console output above referred to only one task directory. +Does that mean all three calls to `sayHello()` were executed within that one task directory? + +Let's have a look inside that `8e/0eb066` task directory: + +```console title="8e/0eb066" +work/8e/0eb066071cdb4123906b7b4ea8b047/ +└── Bonjour-output.txt ``` -Excitingly, this seems to indicate that '3 of 3' calls were made for the process, which is encouraging! -But this only shows us a single run of the process, with one subdirectory path (`1a/1d19ab`). -What's going on? +No! We only find the output corresponding to one of the greetings (as well as the accessory files if we enable display of hidden files). -By default, the ANSI logging system writes the logging from multiple calls to the same process on the same line. -Fortunately, we can disable that behavior to see the full list of process calls. +So what's going on here? -### 1.2. Run the command again with the `-ansi-log false` option +By default, the ANSI logging system writes the status information for all calls to the same process on the same line. +As a result, it only showed us one of the three task directory paths (`8e/0eb066`) in the console output. +There are two others that are not listed there. -To expand the logging to display one line per process call, add `-ansi-log false` to the command. +We can modify the logging behavior to see the full list of process calls by adding the `-ansi-log false` to the command as follows: ```bash -nextflow run channels.nf -ansi-log false +nextflow run channel.nf --input greetings.csv -ansi-log false ``` This time we see all three process runs and their associated work subdirectories listed in the output: ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `channels.nf` [pensive_poitras] DSL2 - revision: 778deadaea -[76/f61695] Submitted process > sayHello (1) -[6e/d12e35] Submitted process > sayHello (3) -[c1/097679] Submitted process > sayHello (2) +Launching `channel.nf` [pedantic_hamilton] DSL2 - revision: 6bbc42e49f +[ab/1a8ece] Submitted process > sayHello (1) +[0d/2cae24] Submitted process > sayHello (2) +[b5/0df1d6] Submitted process > sayHello (3) ``` -That's much better; at least for a simple workflow. -For a complex workflow, or a large number of inputs, having the full list output to the terminal might get a bit overwhelming, so you might not choose to use `-ansi-log false` in those cases. +This confirms that the `sayHello()` process gets called three times, and a separate task directory is created for each one. !!! note - The way the status is reported is a bit different between the two logging modes. + For a complex workflow, or a large number of inputs, having the full list output to the terminal might get a bit overwhelming, so you might prefer not to use `-ansi-log false` in those cases. + + Note also that the way the status is reported is a bit different between the two logging modes. In the condensed mode, Nextflow reports whether calls were completed successfully or not. In this expanded mode, it only reports that they were submitted. -### 1.3. Find the outputs - -Ok, so this shows us that the process got run three times. -Let's look for the outputs in the individual work directories first, since we've got them listed. +If we look inside each of the task directories listed there, we can confirm that each one corresponds to one of the greetings, . -TODO: show example work directory output - -There is an output file there but the name has changed, it's no longer just `output.txt`. -File that away in your brain for later. +```console title="ab/1a8ece" +work/ab/1a8ece307e53f03fce689dde904b64/ +└── Hello-output.txt +``` -Now let's look at the 'results' directory to see if our workflow is still writing a copy of our outputs there. +```console title="0d/2cae24" +work/0d/2cae2481a53593bc607077c80c9466/ +└── Bonjour-output.txt +``` -TODO: show results directory contents +```console title="b5/0df1d6" +work/b5/0df1d642353269909c2ce23fc2a8fa/ +└── Holà-output.txt +``` -Yes! We see all three expected outputs, conveniently with differentiating names. +This confirms that each process call is executed in isolation from all the others. +That has many advantages, including avoiding collisions if the process produces any intermediate files with non-unique names. ### 1.4. Examine the code -Let's take a look at what has changed in the workflow code. +So this version of the workflow is capable of reading in a CSV file of inputs, processing the inputs separately, and naming the outputs uniquely. + +Let's take a look at what makes that possible in the workflow code. +Once again, we're not aiming to memorize code syntax, but to identify signature components of the workflow that provide important functionality. -```groovy title="channels.nf" linenums="1" +```groovy title="channel.nf" linenums="1" #!/usr/bin/env nextflow /* @@ -121,15 +177,10 @@ process sayHello { """ } -/* - * Pipeline parameters - */ -params.greeting = 'greetings.csv' - workflow { // create a channel for inputs from a CSV file - greeting_ch = Channel.fromPath(params.greeting) + greeting_ch = Channel.fromPath(params.input) .splitCsv() .map { line -> line[0] } @@ -138,38 +189,15 @@ workflow { } ``` -#### 1.4.1. Name the outputs dynamically - -Let's start with the output naming since that's conceptually the simplest change. - -```groovy title="channels.nf" linenums="13" - output: - path "${greeting}-output.txt" - - script: - """ - echo '$greeting' > '$greeting-output.txt' - """ -``` - -You see that the output declaration and the relevant bit of the command have changed to include the greeting value in the output file name. -This is one way to ensure that the output file names won't collide when they get published to the common `results` directory. - -And that's the only change we've had to make inside the process declaration. - -#### 1.4.2. Load the inputs from the CSV - -This is the really interesting part: how did we switch from taking a single value from the command-line, to taking a CSV file, parsing it and processing the individual greetings it contains? +#### 1.4.1. Load the inputs from the CSV -That is what Nextflow **channels** are for. -Channels are queues designed to handle inputs efficiently and shuttle them from one step to another in multi-step workflows, while providing built-in parallelism and many additional benefits. -They are complemented by **operators** that allow us to transform channel contents as needed. +This is the most interesting part: how did we switch from taking a single value from the command-line, to taking a CSV file, parsing it and processing the individual greetings it contains? -Confused? Let's break it down. +In Nextflow, we do that with a **channel**: a construct designed to handle inputs efficiently and shuttle them from one step to another in multi-step workflows, while providing built-in parallelism and many additional benefits. -```groovy title="channels.nf" linenums="25" -params.greeting = 'greetings.csv' +Let's break it down. +```groovy title="channel.nf" linenums="22" workflow { // create a channel for inputs from a CSV file @@ -178,17 +206,19 @@ workflow { .map { line -> line[0] } ``` -This is where the magic happens, starting at line 30. +This is where the magic happens, starting at line 25. Here's what that line means in plain English: -Channel = create a **channel**, i.e. a queue that will hold the data -.fromPath = from the filepath provided in parenthesis -(params.greeting) = the filepath provided with `--greeting` on the command line +Channel - create a **channel**, i.e. a queue that will hold the data, +.fromPath - from a filepath +(params.input) - provided with `--input` on the command line + +In other words, that line tells Nextflow: take the filepath given with `--input` and get ready to treat its contents as input data. -Then the next two lines apply **operators** that transform the contents of the newly created channel as follows: +Then the next two lines apply **operators** that do the actual parsing of the file and loading of the data into the appropriate data structure: -.splitCsv() = parse the CSV file into an array representing rows and columns -.map { line -> line[0] } = for each row (line), take only the element in the first column +.splitCsv() - parse the CSV file into an array representing rows and columns +.map { line -> line[0] } - for each row (line), take only the element in the first column So in practice, starting from the following CSV file: @@ -208,11 +238,11 @@ And then we've taken the first element from each of the three rows and loaded th In other words, the result of this very short snippet of code is a channel called `greeting_ch` loaded with the three individual greetings from the CSV file, ready for processing. -#### 1.4.3. Call the process on each greeting +#### 1.4.2. Call the process on each greeting -Then in the last line of the workflow block, we call the `sayHello()` process on the loaded `greeting_ch` channel. +Next, in the last line of the workflow block, we provide the loaded `greeting_ch` channel as input to the `sayHello()` process. -```groovy title="channels.nf" linenums="35" +```groovy title="channel.nf" linenums="28" sayHello(greeting_ch) } ``` @@ -223,55 +253,24 @@ And because Nextflow is smart like that, it will run these process calls in para That is how you can achieve efficient and scalable processing of a lot of data (many samples, or data points, whatever is your unit of research) with comparatively very little code. -### 1.5. Optional: Add `view()` to inspect channel contents - -If you're interested in getting into the guts of channels and operators, you can use [`view()`](https://www.nextflow.io/docs/latest/reference/operator.html#view) as described below to inspect the contents of the channel. -You can think of `view()` as a debugging tool, like a `print()` statement in Python, or its equivalent in other languages. - -In the workflow block, make the following code change: - -```groovy title="channels.nf" linenums="29" hl_lines="3,5,7" - // create a channel for inputs from a CSV file - greeting_ch = Channel.fromPath(params.greeting) - .view { thing -> "Before splitCsv: $thing" } - .splitCsv() - .view { thing -> "After splitCsv: $thing" } - .map { line -> line[0] } - .view { thing -> "After map: $thing" } -``` +#### 1.4.3. Ensure the outputs are uniquely named -Here we are using an operator **closure**, denoted by the curly brackets, to specify what to do within the scope of the `view()` operator. -This code will be executed for each item in the channel. -We define a temporary variable for the inner value, here called `thing` to be generic (it could be anything), representing each individual item loaded in a channel. -This variable is only used within the scope of that closure. +Finally, it's worth taking a quick look at how we get the output files to be named uniquely. -You can then run the workflow again: +```groovy title="channel.nf" linenums="13" + output: + path "${greeting}-output.txt" -```bash -nextflow run channels.nf --greeting greetings.csv + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ ``` -This should once again run without error and produce the following output: - -```console title="Output" linenums="1" - N E X T F L O W ~ version 25.04.3 - -Launching `channels.nf` [tiny_heisenberg] DSL2 - revision: 845b471427 - -executor > local (3) -[1a/1d19ab] sayHello (2) | 3 of 3 ✔ -Before splitCsv: /workspaces/training/nextflow-run/greetings.csv -After splitCsv: [Hello,English,123] -After splitCsv: [Bonjour,French,456] -After splitCsv: [Holà,Spanish,789] -After map: Hello -After map: Bonjour -After map: Holà -``` +You see that, compared to the version of this process in `hello.nf`, the output declaration and the relevant bit of the command have changed to include the greeting value in the output file name. +This is one way to ensure that the output file names won't collide when they get published to the common `results` directory. -This time you see the extra lines at the end showing you what are the contents of the channel at each stage. -Feel free to play around with the contents of the CSV and change the number in the `line -> line[0]` bit that controls which column's value the `map()` operator will pull out. -See what happens! +And that's the only change we've had to make inside the process declaration. ### Takeaway @@ -279,7 +278,7 @@ You understand at a basic level how channels and operators enable us to process ### What's next? -Discover how multi-step workflows are constructed and operate. +Discover how multi-step workflows are constructed and how they operate. --- @@ -293,7 +292,9 @@ To that end, we provide you with an example workflow that chains together three 1. Making data flow from one process to the next 2. Collecting outputs from multiple process calls into a single process call -Specifically, we made a version of the Hello World workflow that takes each input greeting, converts it to uppercase, then collects all the uppercased greetings into a single output file. +Specifically, we made an expanded version of the workflow called `pipeline.nf` that takes each input greeting, converts it to uppercase, then collects all the uppercased greetings into a single output file. + + As previously, we'll run the workflow first then look at the code to see what's changed. @@ -302,7 +303,7 @@ As previously, we'll run the workflow first then look at the code to see what's Run the following command in your terminal: ```bash -nextflow run flow.nf --greeting greetings.csv +nextflow run pipeline.nf --input greetings.csv ``` Once again this should run successfully. @@ -310,26 +311,23 @@ Once again this should run successfully. ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `flow.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 +Launching `pipeline.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 [d6/cdf466] sayHello (1) | 3 of 3 ✔ [99/79394f] convertToUpper (2) | 3 of 3 ✔ [1e/83586c] collectGreetings | 1 of 1 ✔ -There were 3 greetings in this batch ``` You see that as promised, multiple steps were run as part of the workflow; the first two (`sayHello` and `convertToUpper`) were presumably run on each individual greeting, and the third (`collectGreetings`) will have been run only once, on the outputs of all three of the `convertToUpper` calls. ### 2.2. Find the outputs -If you'd like to verify that that is in fact what happened (good scientist; have a biscuit), you can take a look in the `results` directory. +Let's verify that that is in fact what happened by taking a look in the `results` directory. ```console title="Directory contents" results ├── Bonjour-output.txt ├── COLLECTED-output.txt -├── COLLECTED-test-batch-output.txt -├── COLLECTED-trio-output.txt ├── Hello-output.txt ├── Holà-output.txt ├── UPPER-Bonjour-output.txt @@ -337,10 +335,10 @@ results └── UPPER-Holà-output.txt ``` -Look at the file names and check their contents to confirm that they are what you expect, for example: +Look at the file names and check their contents to confirm that they are what you expect; for example: ```console title="bash" -cat results/COLLECTED-trio-output.txt +cat results/COLLECTED-output.txt ``` ```console title="Output" @@ -355,7 +353,7 @@ That is the expected final result of our multi-step pipeline. Let's look at the code and see what we can tie back to what we just observed. -```groovy title="channels.nf" linenums="1" +```groovy title="channel.nf" linenums="1" #!/usr/bin/env nextflow /* @@ -405,25 +403,16 @@ process collectGreetings { input: path input_files - val batch_name output: - path "COLLECTED-${batch_name}-output.txt" , emit: outfile - val count_greetings , emit: count + path "COLLECTED-output.txt" script: - count_greetings = input_files.size() """ - cat ${input_files} > 'COLLECTED-${batch_name}-output.txt' + cat ${input_files} > 'COLLECTED-output.txt' """ } -/* - * Pipeline parameters - */ -params.greeting = 'greetings.csv' -params.batch = 'test-batch' - workflow { // create a channel for inputs from a CSV file @@ -438,11 +427,9 @@ workflow { convertToUpper(sayHello.out) // collect all the greetings into one file - collectGreetings(convertToUpper.out.collect(), params.batch) - - // emit a message about the size of the batch - collectGreetings.out.count.view { num -> "There were $num greetings in this batch" } + collectGreetings(convertToUpper.out.collect()) } + ``` The most obvious difference compared to the previous version of the workflow is that now there are multiple process definitions, and correspondingly, several process calls in the workflow block. @@ -451,18 +438,18 @@ The most obvious difference compared to the previous version of the workflow is In addition to the original `sayHello` process, we now also have `convertToUpper` and `collectGreetings`, which match the names of the processes we saw in the console output. -All three are structured in the same way and follow roughly the same logic, though you may notice that the `collectGreetings` process takes two inputs and outputs two outputs. +All three are structured in the same way and follow roughly the same logic. We won't go into that in detail, but it shows how a process can be given additional parameters and emit multiple outputs. -#### 2.3.2. Processes chained via channels +#### 2.3.2. Processes are connected via channels The really interesting thing to look at here is how the process calls are chained together in the workflow block. -```groovy title="channels.nf" linenums="69" +```groovy title="channel.nf" linenums="69" workflow { // create a channel for inputs from a CSV file - greeting_ch = Channel.fromPath(params.greeting) + greeting_ch = Channel.fromPath(params.input) .splitCsv() .map { line -> line[0] } @@ -473,43 +460,41 @@ workflow { convertToUpper(sayHello.out) // collect all the greetings into one file - collectGreetings(convertToUpper.out.collect(), params.batch) - - // emit a message about the size of the batch - collectGreetings.out.count.view { num -> "There were $num greetings in this batch" } + collectGreetings(convertToUpper.out.collect()) } ``` -You can see that the first process call, to `sayHello()`, is unchanged. +You can see that the first process call, `sayHello(greeting_ch)`, is unchanged. Then the next process call, to `convertToUpper`, _refers_ to the output of `sayHello` as `sayHello.out`: -```groovy title="channels.nf" linenums="79" +```groovy title="channel.nf" linenums="79" // convert the greeting to uppercase convertToUpper(sayHello.out) ``` -This means 'call `convertToUpper` on the output of `sayHello()`'. +This tells Nextflow to provide `sayHello.out`, which represents a channel output by `sayHello()`, as an input to `convertToUpper`. + +That is, at its simplest, how we shuttle data from one step to the next in Nextflow. -Then the next call is doing the same thing, with a little twist (or two): +Then the next call is doing the same thing, with a twist: -```groovy title="channels.nf" linenums="82" +```groovy title="channel.nf" linenums="82" // collect all the greetings into one file - collectGreetings(convertToUpper.out.collect(), params.batch) + collectGreetings(convertToUpper.out.collect()) ``` -First, you'll note this one has two inputs provided to the `collectGreetings()` call: `convertToUpper.out.collect()` and `params.batch`. -The latter is just a parameter value that the process expects (in second position because it is declared in second position in the process definition). +This one is a bit more complicated and deserves its own discussion. -The other one, `convertToUpper.out.collect()`, is a bit more complicated and deserves its own discussion. +#### 2.3.3. Operators provide additional wiring options -#### 2.3.3. Operators provide plumbing options +What we're seeing in `convertToUpper.out.collect()` is the use of another operator (like `splitCsv` and `map` in the previous section), called `collect()`. +This operator is used to collect the outputs from multiple calls to the same process (as when we run `sayHello` on multiple greetings independently) and package them into a single channel element. -What we're seeing in `convertToUpper.out.collect()` is the use of another operator, called `collect()`. -This operator is used to collect the outputs from multiple parallel calls to the same process and package them into a single channel element. +This allows us to take all the separate uppercased greetings produced by the second step of the workflow and feed them all together to a single call in the third step of the pipeline. +If we didn't apply `collect()` to the output of `convertToUpper()` before feeding it to `collectGreetings()`, Nextflow would simply run `collectGreetings()` independently on each greeting, which would not achieve our goal. -Specifically, -TODO: finish explanation + There are many other operators available to apply transformations to the contents of channels between process calls. @@ -520,17 +505,17 @@ The downside is that it can sometimes make it harder to decipher what the pipeli One very helpful tool for understanding what a pipeline does, if it's not adequately documented, is the graph preview functionality available in VSCode. You can see this in the training environment by clicking on the small `DAG preview` link displayed just above the workflow block in any Nextflow script. -TODO: add picture + This does not show operators, but it does give a useful representation of how process calls are connected and what are their inputs. ### Takeaway -You understand at a basic level how multi-step workflows are constructed and operate, using channels and operators, and you can manage their execution. +You understand at a basic level how multi-step workflows are constructed using channels and operators and how they operate. ### What's next? -Learn how Nextflow pipelines are often modularized to promote code reuse and maintainability. +Learn how Nextflow pipelines can be modularized to promote code reuse and maintainability. --- @@ -551,13 +536,14 @@ This makes the code more shareable, flexible and maintainable. We have of course once again prepared a suitable workflow for demonstration purposes, called `modular.nf`, along with a set of modules located in the `modules/` directory. -### 3.1. Examine the code + -This time we're going to look at the code first. +### 3.1. Examine the code -TODO: show directory contents +This time we're going to look at the code first, so let's open each of the files listed above. -Importantly, the processes and workflow logic are exactly the same as in the previous version of the workflow. However the process code is in the modules instead of being in the main workflow file, and there are now import statements in the workflow file telling Nextflow to pull them in at runtime. +We see that the processes and workflow logic are exactly the same as in the previous version of the workflow. +However, the process code is in the modules instead of being in the main workflow file, and there are now import statements in the workflow file telling Nextflow to pull them in at runtime. ```groovy title="hello-modules.nf" linenums="9" hl_lines="4" // Include modules @@ -568,9 +554,32 @@ include { collectGreetings } from './modules/collectGreetings.nf' workflow { ``` -You can look inside one of the modules to satisfy yourself that the process definition is unchanged, it's literally just been copy-pasted into a standalone file. +You can look inside one of the modules to satisfy yourself that the process definition is unchanged; it's literally just been copy-pasted into a standalone file. + +For example, this is the module containing the `sayHello` process: + +```groovy title="modules/sayHello.nf" linenums="1" +#!/usr/bin/env nextflow + +/* + * Use echo to print 'Hello World!' to a file + */ +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path "${greeting}-output.txt" -TODO: show module code for `sayHello` + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ +} +``` So let's see what it looks like to run this new version. @@ -579,7 +588,7 @@ So let's see what it looks like to run this new version. Run this command in your terminal, with the `-resume` flag: ```bash -nextflow run modular.nf --greeting greetings.csv -resume +nextflow run modular.nf --input greetings.csv -resume ``` Once again this should run successfully. @@ -592,10 +601,9 @@ Launching `modular.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 [j6/cdfa66] sayHello (1) | 3 of 3, cached: ✔ [95/79484f] convertToUpper (2) | 3 of 3, cached: ✔ [5e/4358gc] collectGreetings | 1 of 1, cached: ✔ -There were 3 greetings in this batch ``` -You'll notice that these all cached successfully, meaning that Nextflow recognized that it has already done the requested work, even though the code has been split up and the main workflow file has been renamed. +You'll notice that the process executions all cached successfully, meaning that Nextflow recognized that it has already done the requested work, even though the code has been split up and the main workflow file has been renamed. None of that matters to Nextflow; what matters is the job script that is generated once all the code has been pulled together and evaluated. @@ -603,7 +611,7 @@ None of that matters to Nextflow; what matters is the job script that is generat It is also possible to encapsulate a section of a workflow as a 'subworkflow' that can be imported into a larger pipeline, but that is outside the scope of this course. - TODO: add links to learn more about composable workflows + You can learn more about developing composable workflows in te Side Quest on [Workflows of Workflows](https://training.nextflow.io/latest/side_quests/workflows_of_workflows/). ### Takeaway @@ -636,7 +644,202 @@ A **container** is a lightweight, standalone, executable unit of software create First, let's try interacting with a container directly. This will help solidify your understanding of what containers are before we start using them in Nextflow. -TODO: clone the content from hello_containers.md +#### 4.1.1. Pull the container image + +To use a container, you usually download or "pull" a container image from a container registry, and then run the container image to create a container instance. + +The general syntax is as follows: + +```bash title="Syntax" +docker pull '' +``` + +The `docker pull` part is the instruction to the container system to pull a container image from a repository. + +The `''` part is the URI address of the container image. + +As an example, let's pull a container image that contains [cowpy](https://github.com/jeffbuttars/cowpy), a python implementation of a tool called `cowsay` that generates ASCII art to display arbitrary text inputs in a fun way. + +There are various repositories where you can find published containers. +We used the [Seqera Containers](https://seqera.io/containers/) service to generate this Docker container image from the `cowpy` Conda package: `'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273'`. + +Run the complete pull command: + +```bash +docker pull 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' +``` + +This gives you the following console output as the system downloads the image: + +```console title="Output" +Unable to find image 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' locally +131d6a1b707a8e65: Pulling from library/cowpy +dafa2b0c44d2: Pull complete +dec6b097362e: Pull complete +f88da01cff0b: Pull complete +4f4fb700ef54: Pull complete +92dc97a3ef36: Pull complete +403f74b0f85e: Pull complete +10b8c00c10a5: Pull complete +17dc7ea432cc: Pull complete +bb36d6c3110d: Pull complete +0ea1a16bbe82: Pull complete +030a47592a0a: Pull complete +622dd7f15040: Pull complete +895fb5d0f4df: Pull complete +Digest: sha256:fa50498b32534d83e0a89bb21fec0c47cc03933ac95c6b6587df82aaa9d68db3 +Status: Downloaded newer image for community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273 +community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273 +``` + +Once the download is complete, you have a local copy of the container image. + +You can also run a container interactively, which gives you a shell prompt inside the container and allows you to play with the command. + +#### 4.1.2. Spin up the container + +The general syntax is as follows: + +```bash title="Syntax" +docker run --rm '' [tool command] +``` + +The `docker run --rm ''` part is the instruction to the container system to spin up a container instance from a container image and execute a command in it. +The `--rm` flag tells the system to shut down the container instance after the command has completed. + +To run the container interactively, we add `-it` to the `docker run` command, and in this case we also add `-v` to mount a volume from the host system into the container using the following syntax: + +```bash title="Syntax" +-v : +``` + +We need to do that because when you run a container, it is isolated from the host system by default. +This means that the container can't access any files on the host system unless you explicitly allow it to do so. + +In our case `` will be the current working directory, so we can just use a dot (`.`), and `` is just a name we make up; let's call it `/data`. + +Fully assembled, the container execution command looks like this: + +```bash +docker run --rm -it -v .:/data 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' +``` + +Run that command, and you should see your prompt change to something like `(base) root@b645838b3314:/tmp#`, which indicates that you are now inside the container. + +You can verify this by running `ls` to list directory contents: + +```bash +ls / +``` + +```console title="Output" +bin boot dev data etc home lib lib64 media mnt opt proc root run sbin srv sys tmp usr var +``` + +You can see that the filesystem inside the container is different from the filesystem on your host system. + +Conveniently, the command we ran mounted the current working directory as a volume that is accessible under `/data` inside the container. + +You can check that it works by listing the contents of `/data`: + +```bash +ls /data +``` + +Depending on what part of this training you've done before, the output below may look slightly different, but you should now see the contents of the `data` directory. + + + +This effectively established a tunnel through the container wall that you can use to access that part of your filesystem. + +#### 4.1.3. Run the `cowpy` tool + +Now that you are inside the container, you can run the `cowpy` command directly and give it some parameters. +For example, the tool documentation says we can set the character ('cowacter') with `-c`. + +```bash +cowpy "Hello Containers" -c tux +``` + +Now the output shows the Linux penguin, Tux, because we specified the `-c tux` parameter. + +```console title="Output" + __________________ +< Hello Containers > + ------------------ + \ + \ + .--. + |o_o | + |:_/ | + // \ \ + (| | ) + /'\_ _/`\ + \___)=(___/ +``` + +Because you're inside the container, you can run the cowpy command as many times as you like, varying the input parameters, without having to bother with Docker commands. + +!!! Tip + + Use the '-c' flag to pick a different character, including: + `beavis`, `cheese`, `daemon`, `dragonandcow`, `ghostbusters`, `kitty`, `moose`, `milk`, `stegosaurus`, `turkey`, `turtle`, `tux` + +This is neat. What would be even neater is if we could feed our `greetings.csv` as input into this. + +#### 4.1.4. Run the `cowpy` tool + +Good news: we can, since we have access to our files via the `/data` volume mount! + +We can use `cat /data/greetings.csv | ` to pipe the contents of the CSV file into the `cowpy` command. + +```bash +cat /data/greetings.csv | cowpy -c turkey +``` + +This produces the desired ASCII art of a turkey rattling off our example greetings: + +```console title="Output" + _________ +/ Hello \ +| Bonjour | +\ Holà / + --------- + \ ,+*^^*+___+++_ + \ ,*^^^^ ) + \ _+* ^**+_ + \ +^ _ _++*+_+++_, ) + _+^^*+_ ( ,+*^ ^ \+_ ) + { ) ( ,( ,_+--+--, ^) ^\ + { (\@) } f ,( ,+-^ __*_*_ ^^\_ ^\ ) + {:;-/ (_+*-+^^^^^+*+*<_ _++_)_ ) ) / + ( / ( ( ,___ ^*+_+* ) < < \ + U _/ ) *--< ) ^\-----++__) ) ) ) + ( ) _(^)^^)) ) )\^^^^^))^*+/ / / + ( / (_))_^)) ) ) ))^^^^^))^^^)__/ +^^ + ( ,/ (^))^)) ) ) ))^^^^^^^))^^) _) + *+__+* (_))^) ) ) ))^^^^^^))^^^^^)____*^ + \ \_)^)_)) ))^^^^^^^^^^))^^^^) + (_ ^\__^^^^^^^^^^^^))^^^^^^^) + ^\___ ^\__^^^^^^))^^^^^^^^)\\ + ^^^^^\uuu/^^\uuu/^^^^\^\^\^\^\^\^\^\ + ___) >____) >___ ^\_\_\_\_\_\_\) + ^^^//\\_^^//\\_^ ^(\_\_\_\) + ^^^ ^^ ^^^ ^ +``` + +Feel free to play around with this command. +When you're done, exit the container using the `exit` command: + +```bash +exit +``` + +You will find yourself back in your normal shell. ### 4.2. Use a container in a workflow diff --git a/nextflow-run/channels.nf b/nextflow-run/channel.nf similarity index 81% rename from nextflow-run/channels.nf rename to nextflow-run/channel.nf index 0f54be80c..03739b775 100644 --- a/nextflow-run/channels.nf +++ b/nextflow-run/channel.nf @@ -19,15 +19,10 @@ process sayHello { """ } -/* - * Pipeline parameters - */ -params.greeting = 'greetings.csv' - workflow { // create a channel for inputs from a CSV file - greeting_ch = Channel.fromPath(params.greeting) + greeting_ch = Channel.fromPath(params.input) .splitCsv() .map { line -> line[0] } diff --git a/nextflow-run/hello-world.nf b/nextflow-run/hello.nf similarity index 100% rename from nextflow-run/hello-world.nf rename to nextflow-run/hello.nf diff --git a/nextflow-run/flow.nf b/nextflow-run/pipeline.nf similarity index 66% rename from nextflow-run/flow.nf rename to nextflow-run/pipeline.nf index 9f2ab6dc3..386bafad0 100644 --- a/nextflow-run/flow.nf +++ b/nextflow-run/pipeline.nf @@ -47,29 +47,20 @@ process collectGreetings { input: path input_files - val batch_name output: - path "COLLECTED-${batch_name}-output.txt" , emit: outfile - val count_greetings , emit: count + path "COLLECTED-output.txt" script: - count_greetings = input_files.size() """ - cat ${input_files} > 'COLLECTED-${batch_name}-output.txt' + cat ${input_files} > 'COLLECTED-output.txt' """ } -/* - * Pipeline parameters - */ -params.greeting = 'greetings.csv' -params.batch = 'test-batch' - workflow { // create a channel for inputs from a CSV file - greeting_ch = Channel.fromPath(params.greeting) + greeting_ch = Channel.fromPath(params.input) .splitCsv() .map { line -> line[0] } @@ -80,8 +71,5 @@ workflow { convertToUpper(sayHello.out) // collect all the greetings into one file - collectGreetings(convertToUpper.out.collect(), params.batch) - - // emit a message about the size of the batch - collectGreetings.out.count.view { num -> "There were $num greetings in this batch" } + collectGreetings(convertToUpper.out.collect()) } From a8d3611786fa3291b296f2d8a059c6d426c7b792 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 4 Jul 2025 23:28:38 -0400 Subject: [PATCH 14/49] added collapsible sections as an experiment --- docs/nextflow_run/02_pipeline.md | 201 +++++++++++++++++++------------ 1 file changed, 121 insertions(+), 80 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 9abdda6fc..6f1b59356 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -41,6 +41,9 @@ nextflow run channel.nf --input greetings.csv This should run without error. +
+ Output + ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 @@ -50,6 +53,8 @@ executor > local (3) [8e/0eb066] sayHello (2) [100%] 3 of 3 ✔ ``` +
+ Excitingly, this seems to indicate that '3 of 3' calls were made for the process, which is encouraging, since there were three rows of data in the CSV we provided as input. This suggests the sayHello() process was called three times, once on each input row. @@ -68,6 +73,9 @@ Yes! We see three output files with different names, conveniently enough. You can open each of them to satisfy yourself that they contain the appropriate greeting string. +
+ File contents + ```console title="results/Hello-output.txt" Hello ```` @@ -80,6 +88,8 @@ Bonjour Holà ``` +
+ This confirms each greeting in the input file has been processed appropriately. ### 1.3. Find the original outputs and logs @@ -89,10 +99,13 @@ Does that mean all three calls to `sayHello()` were executed within that one tas Let's have a look inside that `8e/0eb066` task directory: +
+ Directory contents ```console title="8e/0eb066" work/8e/0eb066071cdb4123906b7b4ea8b047/ └── Bonjour-output.txt ``` +
No! We only find the output corresponding to one of the greetings (as well as the accessory files if we enable display of hidden files). @@ -108,7 +121,10 @@ We can modify the logging behavior to see the full list of process calls by addi nextflow run channel.nf --input greetings.csv -ansi-log false ``` -This time we see all three process runs and their associated work subdirectories listed in the output: +This time we see all three process runs and their associated work subdirectories listed in the output. + +
+ Output ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 @@ -118,6 +134,8 @@ Launching `channel.nf` [pedantic_hamilton] DSL2 - revision: 6bbc42e49f [b5/0df1d6] Submitted process > sayHello (3) ``` +
+ This confirms that the `sayHello()` process gets called three times, and a separate task directory is created for each one. !!! note @@ -128,7 +146,10 @@ This confirms that the `sayHello()` process gets called three times, and a separ In the condensed mode, Nextflow reports whether calls were completed successfully or not. In this expanded mode, it only reports that they were submitted. -If we look inside each of the task directories listed there, we can confirm that each one corresponds to one of the greetings, . +If we look inside each of the task directories listed there, we can confirm that each one corresponds to one of the greetings. + +
+ Directory contents ```console title="ab/1a8ece" work/ab/1a8ece307e53f03fce689dde904b64/ @@ -145,6 +166,8 @@ work/b5/0df1d642353269909c2ce23fc2a8fa/ └── Holà-output.txt ``` +
+ This confirms that each process call is executed in isolation from all the others. That has many advantages, including avoiding collisions if the process produces any intermediate files with non-unique names. @@ -155,6 +178,9 @@ So this version of the workflow is capable of reading in a CSV file of inputs, p Let's take a look at what makes that possible in the workflow code. Once again, we're not aiming to memorize code syntax, but to identify signature components of the workflow that provide important functionality. +
+ Code + ```groovy title="channel.nf" linenums="1" #!/usr/bin/env nextflow @@ -189,6 +215,8 @@ workflow { } ``` +
+ #### 1.4.1. Load the inputs from the CSV This is the most interesting part: how did we switch from taking a single value from the command-line, to taking a CSV file, parsing it and processing the individual greetings it contains? @@ -209,16 +237,16 @@ workflow { This is where the magic happens, starting at line 25. Here's what that line means in plain English: -Channel - create a **channel**, i.e. a queue that will hold the data, -.fromPath - from a filepath -(params.input) - provided with `--input` on the command line +Channel -------------------- create a **channel**, i.e. a queue that will hold the data, +.fromPath ------------------ from a filepath +(params.input) ------------- provided with `--input` on the command line In other words, that line tells Nextflow: take the filepath given with `--input` and get ready to treat its contents as input data. Then the next two lines apply **operators** that do the actual parsing of the file and loading of the data into the appropriate data structure: -.splitCsv() - parse the CSV file into an array representing rows and columns -.map { line -> line[0] } - for each row (line), take only the element in the first column +.splitCsv() ---------------- parse the CSV file into an array representing rows and columns +.map { line -> line[0] } --- for each row (line), take only the element in the first column So in practice, starting from the following CSV file: @@ -308,6 +336,9 @@ nextflow run pipeline.nf --input greetings.csv Once again this should run successfully. +
+ Output + ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 @@ -318,12 +349,17 @@ Launching `pipeline.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 [1e/83586c] collectGreetings | 1 of 1 ✔ ``` +
+ You see that as promised, multiple steps were run as part of the workflow; the first two (`sayHello` and `convertToUpper`) were presumably run on each individual greeting, and the third (`collectGreetings`) will have been run only once, on the outputs of all three of the `convertToUpper` calls. ### 2.2. Find the outputs Let's verify that that is in fact what happened by taking a look in the `results` directory. +
+ Directory contents + ```console title="Directory contents" results ├── Bonjour-output.txt @@ -335,6 +371,8 @@ results └── UPPER-Holà-output.txt ``` +
+ Look at the file names and check their contents to confirm that they are what you expect; for example: ```console title="bash" @@ -353,6 +391,9 @@ That is the expected final result of our multi-step pipeline. Let's look at the code and see what we can tie back to what we just observed. +
+ Code + ```groovy title="channel.nf" linenums="1" #!/usr/bin/env nextflow @@ -432,6 +473,8 @@ workflow { ``` +
+ The most obvious difference compared to the previous version of the workflow is that now there are multiple process definitions, and correspondingly, several process calls in the workflow block. #### 2.3.1. Multiple process definitions @@ -445,6 +488,9 @@ We won't go into that in detail, but it shows how a process can be given additio The really interesting thing to look at here is how the process calls are chained together in the workflow block. +
+ Code + ```groovy title="channel.nf" linenums="69" workflow { @@ -464,6 +510,8 @@ workflow { } ``` +
+ You can see that the first process call, `sayHello(greeting_ch)`, is unchanged. Then the next process call, to `convertToUpper`, _refers_ to the output of `sayHello` as `sayHello.out`: @@ -477,7 +525,7 @@ This tells Nextflow to provide `sayHello.out`, which represents a channel output That is, at its simplest, how we shuttle data from one step to the next in Nextflow. -Then the next call is doing the same thing, with a twist: +Finally, the third call, `collectGreetings`, is doing the same thing, with a twist: ```groovy title="channel.nf" linenums="82" // collect all the greetings into one file @@ -593,6 +641,9 @@ nextflow run modular.nf --input greetings.csv -resume Once again this should run successfully. +
+ Output + ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 @@ -603,6 +654,8 @@ Launching `modular.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 [5e/4358gc] collectGreetings | 1 of 1, cached: ✔ ``` +
+ You'll notice that the process executions all cached successfully, meaning that Nextflow recognized that it has already done the requested work, even though the code has been split up and the main workflow file has been renamed. None of that matters to Nextflow; what matters is the job script that is generated once all the code has been pulled together and evaluated. @@ -648,6 +701,9 @@ This will help solidify your understanding of what containers are before we star To use a container, you usually download or "pull" a container image from a container registry, and then run the container image to create a container instance. +
+ Syntax details + The general syntax is as follows: ```bash title="Syntax" @@ -658,6 +714,8 @@ The `docker pull` part is the instruction to the container system to pull a cont The `''` part is the URI address of the container image. +
+ As an example, let's pull a container image that contains [cowpy](https://github.com/jeffbuttars/cowpy), a python implementation of a tool called `cowsay` that generates ASCII art to display arbitrary text inputs in a fun way. There are various repositories where you can find published containers. @@ -669,6 +727,9 @@ Run the complete pull command: docker pull 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' ``` +
+ Output + This gives you the following console output as the system downloads the image: ```console title="Output" @@ -692,12 +753,17 @@ Status: Downloaded newer image for community.wave.seqera.io/library/cowpy:1.1.5- community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273 ``` -Once the download is complete, you have a local copy of the container image. +
-You can also run a container interactively, which gives you a shell prompt inside the container and allows you to play with the command. +Once the download is complete, you have a local copy of the container image. #### 4.1.2. Spin up the container +Containers can be run as a one-off command, but you can also use them interactively, which gives you a shell prompt inside the container and allows you to play with the command. + +
+ Syntax details + The general syntax is as follows: ```bash title="Syntax" @@ -707,21 +773,12 @@ docker run --rm '' [tool command] The `docker run --rm ''` part is the instruction to the container system to spin up a container instance from a container image and execute a command in it. The `--rm` flag tells the system to shut down the container instance after the command has completed. -To run the container interactively, we add `-it` to the `docker run` command, and in this case we also add `-v` to mount a volume from the host system into the container using the following syntax: - -```bash title="Syntax" --v : -``` - -We need to do that because when you run a container, it is isolated from the host system by default. -This means that the container can't access any files on the host system unless you explicitly allow it to do so. - -In our case `` will be the current working directory, so we can just use a dot (`.`), and `` is just a name we make up; let's call it `/data`. +
Fully assembled, the container execution command looks like this: ```bash -docker run --rm -it -v .:/data 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' +docker run --rm -it 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' ``` Run that command, and you should see your prompt change to something like `(base) root@b645838b3314:/tmp#`, which indicates that you are now inside the container. @@ -732,40 +789,65 @@ You can verify this by running `ls` to list directory contents: ls / ``` +
+ Output + ```console title="Output" bin boot dev data etc home lib lib64 media mnt opt proc root run sbin srv sys tmp usr var ``` -You can see that the filesystem inside the container is different from the filesystem on your host system. +
+ +You observe see that the filesystem inside the container is different from the filesystem on your host system. + +!!! note + + When you run a container, it is isolated from the host system by default. + This means that the container can't access any files on the host system unless you explicitly allow it to do so by specifying that you want to mount a volume as part of the `docker run` command using the following syntax: -Conveniently, the command we ran mounted the current working directory as a volume that is accessible under `/data` inside the container. + ```bash title="Syntax" + -v : + ``` -You can check that it works by listing the contents of `/data`: + This effectively establishes a tunnel through the container wall that you can use to access that part of your filesystem. + +#### 4.1.3. Run the `cowpy` tool + +Now that you are inside the container, you can run the `cowpy` command directly. ```bash -ls /data +cowpy "Hello Containers" ``` -Depending on what part of this training you've done before, the output below may look slightly different, but you should now see the contents of the `data` directory. +
+ Output - - -This effectively established a tunnel through the container wall that you can use to access that part of your filesystem. -#### 4.1.3. Run the `cowpy` tool +
-Now that you are inside the container, you can run the `cowpy` command directly and give it some parameters. -For example, the tool documentation says we can set the character ('cowacter') with `-c`. +Now that you have tested the basic usage, you can try giving it some parameters. +For example, the tool documentation says we can set the character with `-c`. ```bash cowpy "Hello Containers" -c tux ``` -Now the output shows the Linux penguin, Tux, because we specified the `-c tux` parameter. +
+ Output + +This time the ASCII art output shows the Linux penguin, Tux, because we specified the `-c tux` parameter. ```console title="Output" __________________ @@ -782,57 +864,16 @@ Now the output shows the Linux penguin, Tux, because we specified the `-c tux` p \___)=(___/ ``` -Because you're inside the container, you can run the cowpy command as many times as you like, varying the input parameters, without having to bother with Docker commands. +
+ +Because you're inside the container, you can run the cowpy command as many times as you like, varying the input parameters, without having to worry about install any libraries on your system itself. !!! Tip Use the '-c' flag to pick a different character, including: `beavis`, `cheese`, `daemon`, `dragonandcow`, `ghostbusters`, `kitty`, `moose`, `milk`, `stegosaurus`, `turkey`, `turtle`, `tux` -This is neat. What would be even neater is if we could feed our `greetings.csv` as input into this. - -#### 4.1.4. Run the `cowpy` tool - -Good news: we can, since we have access to our files via the `/data` volume mount! - -We can use `cat /data/greetings.csv | ` to pipe the contents of the CSV file into the `cowpy` command. - -```bash -cat /data/greetings.csv | cowpy -c turkey -``` - -This produces the desired ASCII art of a turkey rattling off our example greetings: - -```console title="Output" - _________ -/ Hello \ -| Bonjour | -\ Holà / - --------- - \ ,+*^^*+___+++_ - \ ,*^^^^ ) - \ _+* ^**+_ - \ +^ _ _++*+_+++_, ) - _+^^*+_ ( ,+*^ ^ \+_ ) - { ) ( ,( ,_+--+--, ^) ^\ - { (\@) } f ,( ,+-^ __*_*_ ^^\_ ^\ ) - {:;-/ (_+*-+^^^^^+*+*<_ _++_)_ ) ) / - ( / ( ( ,___ ^*+_+* ) < < \ - U _/ ) *--< ) ^\-----++__) ) ) ) - ( ) _(^)^^)) ) )\^^^^^))^*+/ / / - ( / (_))_^)) ) ) ))^^^^^))^^^)__/ +^^ - ( ,/ (^))^)) ) ) ))^^^^^^^))^^) _) - *+__+* (_))^) ) ) ))^^^^^^))^^^^^)____*^ - \ \_)^)_)) ))^^^^^^^^^^))^^^^) - (_ ^\__^^^^^^^^^^^^))^^^^^^^) - ^\___ ^\__^^^^^^))^^^^^^^^)\\ - ^^^^^\uuu/^^\uuu/^^^^\^\^\^\^\^\^\^\ - ___) >____) >___ ^\_\_\_\_\_\_\) - ^^^//\\_^^//\\_^ ^(\_\_\_\) - ^^^ ^^ ^^^ ^ -``` - -Feel free to play around with this command. +Feel free to play around with this. When you're done, exit the container using the `exit` command: ```bash From 969a1c7f4531a991bff16a93d3dc3b221b83c714 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Fri, 4 Jul 2025 23:33:30 -0400 Subject: [PATCH 15/49] fix formatting error --- docs/nextflow_run/02_pipeline.md | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 6f1b59356..a0cab1b68 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -44,7 +44,7 @@ This should run without error.
Output -```console title="Output" linenums="1" +```console linenums="1" N E X T F L O W ~ version 25.04.3 Launching `channel.nf` [mighty_sammet] DSL2 - revision: 29fb5352b3 @@ -62,11 +62,12 @@ This suggests the sayHello() process was called three times, once on each input Let's look at the 'results' directory to see if our workflow is still writing a copy of our outputs there. -````console title="results/" linenums="1" +```console title="results/" linenums="1" results ├── Bonjour-output.txt ├── Hello-output.txt └── Holà-output.txt +``` Yes! We see three output files with different names, conveniently enough. (Spoiler: we changed the workflow to name the files differently.) @@ -78,7 +79,7 @@ You can open each of them to satisfy yourself that they contain the appropriate ```console title="results/Hello-output.txt" Hello -```` +``` ```console title="results/Bonjour-output.txt" Bonjour From f193690a1bfbafdd0d24d1675752a57561741f97 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 00:13:27 -0400 Subject: [PATCH 16/49] Make explanations and code snippets collapsible --- docs/nextflow_run/02_pipeline.md | 139 +++++++++++++++++++++---------- 1 file changed, 97 insertions(+), 42 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index a0cab1b68..a114ff20b 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -1,15 +1,14 @@ # Part 2: Run pipelines In Part 1 of this course (Run Basic Operations), we started with an example workflow that had only minimal features in order to keep the code complexity low. +For example, `hello.nf` used a command-line parameter (`--greeting`) to provide a single value at a time. + However, most real-world pipelines use more sophisticated features in order to enable efficient processing of large amounts of data at scale, and apply multiple processing steps chained together by sometimes complex logic. -In this part of the training, we demonstrate key features of real-world pipelines through a set of example workflows that build on the original Hello World pipeline. +In this part of the training, we demonstrate key features of real-world pipelines by trying out expanded versions of the original Hello World pipeline. ## 1. Processing input data from a file -The `hello.nf` workflow we ran in Part 1 used a command-line parameter (`--greeting`) to provide a single value at a time. -That was a deliberately simplified approach. - In a real-world pipeline, we typically want to process multiple data points (or data series) contained in one or more input files. And wherever possible, we want to run the processing of independent data in parallel, to shorten the time spent waiting for analysis. @@ -42,7 +41,7 @@ nextflow run channel.nf --input greetings.csv This should run without error.
- Output + Command output ```console linenums="1" N E X T F L O W ~ version 25.04.3 @@ -62,6 +61,9 @@ This suggests the sayHello() process was called three times, once on each input Let's look at the 'results' directory to see if our workflow is still writing a copy of our outputs there. +
+ Directory contents + ```console title="results/" linenums="1" results ├── Bonjour-output.txt @@ -69,6 +71,8 @@ results └── Holà-output.txt ``` +
+ Yes! We see three output files with different names, conveniently enough. (Spoiler: we changed the workflow to name the files differently.) @@ -112,10 +116,15 @@ No! We only find the output corresponding to one of the greetings (as well as th So what's going on here? +
+ Explanation + By default, the ANSI logging system writes the status information for all calls to the same process on the same line. As a result, it only showed us one of the three task directory paths (`8e/0eb066`) in the console output. There are two others that are not listed there. +
+ We can modify the logging behavior to see the full list of process calls by adding the `-ansi-log false` to the command as follows: ```bash @@ -125,9 +134,9 @@ nextflow run channel.nf --input greetings.csv -ansi-log false This time we see all three process runs and their associated work subdirectories listed in the output.
- Output + Command output -```console title="Output" linenums="1" +```console linenums="1" N E X T F L O W ~ version 25.04.3 Launching `channel.nf` [pedantic_hamilton] DSL2 - revision: 6bbc42e49f [ab/1a8ece] Submitted process > sayHello (1) @@ -135,19 +144,15 @@ Launching `channel.nf` [pedantic_hamilton] DSL2 - revision: 6bbc42e49f [b5/0df1d6] Submitted process > sayHello (3) ``` +Notice that the way the status is reported is a bit different between the two logging modes. +In the condensed mode, Nextflow reports whether calls were completed successfully or not. +In this expanded mode, it only reports that they were submitted. +
This confirms that the `sayHello()` process gets called three times, and a separate task directory is created for each one. -!!! note - - For a complex workflow, or a large number of inputs, having the full list output to the terminal might get a bit overwhelming, so you might prefer not to use `-ansi-log false` in those cases. - - Note also that the way the status is reported is a bit different between the two logging modes. - In the condensed mode, Nextflow reports whether calls were completed successfully or not. - In this expanded mode, it only reports that they were submitted. - -If we look inside each of the task directories listed there, we can confirm that each one corresponds to one of the greetings. +If we look inside each of the task directories listed there, we can verify that each one corresponds to one of the greetings.
Directory contents @@ -172,6 +177,10 @@ work/b5/0df1d642353269909c2ce23fc2a8fa/ This confirms that each process call is executed in isolation from all the others. That has many advantages, including avoiding collisions if the process produces any intermediate files with non-unique names. +!!! Tip + + For a complex workflow, or a large number of inputs, having the full list output to the terminal might get a bit overwhelming, so you might prefer not to use `-ansi-log false` in those cases. + ### 1.4. Examine the code So this version of the workflow is capable of reading in a CSV file of inputs, processing the inputs separately, and naming the outputs uniquely. @@ -218,7 +227,7 @@ workflow {
-#### 1.4.1. Load the inputs from the CSV +#### 1.4.1. Loading the input data from the CSV This is the most interesting part: how did we switch from taking a single value from the command-line, to taking a CSV file, parsing it and processing the individual greetings it contains? @@ -226,6 +235,9 @@ In Nextflow, we do that with a **channel**: a construct designed to handle input Let's break it down. +
+ Explanation + ```groovy title="channel.nf" linenums="22" workflow { @@ -238,16 +250,16 @@ workflow { This is where the magic happens, starting at line 25. Here's what that line means in plain English: -Channel -------------------- create a **channel**, i.e. a queue that will hold the data, -.fromPath ------------------ from a filepath -(params.input) ------------- provided with `--input` on the command line +- `Channel` creates a **channel**, i.e. a queue that will hold the data +- `.fromPath` specifies the data source is a filepath +- `(params.input)` specifies the filepath is provided by `--input` on the command line In other words, that line tells Nextflow: take the filepath given with `--input` and get ready to treat its contents as input data. Then the next two lines apply **operators** that do the actual parsing of the file and loading of the data into the appropriate data structure: -.splitCsv() ---------------- parse the CSV file into an array representing rows and columns -.map { line -> line[0] } --- for each row (line), take only the element in the first column +- `.splitCsv()` tells Nextflow to parse the CSV file into an array representing rows and columns +- `.map { line -> line[0] }` tells Nextflow to take only the element in the first column from each row So in practice, starting from the following CSV file: @@ -265,12 +277,17 @@ We have transformed that into an array that looks like this: And then we've taken the first element from each of the three rows and loaded them into a Nextflow channel that now contains: `Hello`, `Bonjour`, and `Holà`. -In other words, the result of this very short snippet of code is a channel called `greeting_ch` loaded with the three individual greetings from the CSV file, ready for processing. +
+ +The result of this very short snippet of code is a channel called `greeting_ch` loaded with the three individual greetings from the CSV file, ready for processing. #### 1.4.2. Call the process on each greeting Next, in the last line of the workflow block, we provide the loaded `greeting_ch` channel as input to the `sayHello()` process. +
+ Explanation + ```groovy title="channel.nf" linenums="28" sayHello(greeting_ch) } @@ -280,12 +297,17 @@ This tells Nextflow to run the process _individually_ on each element in the cha And because Nextflow is smart like that, it will run these process calls in parallel if possible, depending on the available computing infrastructure. +
+ That is how you can achieve efficient and scalable processing of a lot of data (many samples, or data points, whatever is your unit of research) with comparatively very little code. #### 1.4.3. Ensure the outputs are uniquely named Finally, it's worth taking a quick look at how we get the output files to be named uniquely. +
+ Explanation + ```groovy title="channel.nf" linenums="13" output: path "${greeting}-output.txt" @@ -297,8 +319,11 @@ Finally, it's worth taking a quick look at how we get the output files to be nam ``` You see that, compared to the version of this process in `hello.nf`, the output declaration and the relevant bit of the command have changed to include the greeting value in the output file name. + This is one way to ensure that the output file names won't collide when they get published to the common `results` directory. +
+ And that's the only change we've had to make inside the process declaration. ### Takeaway @@ -338,7 +363,7 @@ nextflow run pipeline.nf --input greetings.csv Once again this should run successfully.
- Output + Command output ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 @@ -380,12 +405,17 @@ Look at the file names and check their contents to confirm that they are what yo cat results/COLLECTED-output.txt ``` +
+ Command output + ```console title="Output" HELLO BONJOUR HOLà ``` +
+ That is the expected final result of our multi-step pipeline. ### 2.3. Examine the code @@ -515,17 +545,22 @@ workflow { You can see that the first process call, `sayHello(greeting_ch)`, is unchanged. -Then the next process call, to `convertToUpper`, _refers_ to the output of `sayHello` as `sayHello.out`: +Then the next process call, to `convertToUpper`, _refers_ to the output of `sayHello` as `sayHello.out`. + +
+ Explanation ```groovy title="channel.nf" linenums="79" // convert the greeting to uppercase convertToUpper(sayHello.out) ``` -This tells Nextflow to provide `sayHello.out`, which represents a channel output by `sayHello()`, as an input to `convertToUpper`. +This tells Nextflow to provide `sayHello.out`, which represents the channel output by `sayHello()`, as an input to `convertToUpper`. That is, at its simplest, how we shuttle data from one step to the next in Nextflow. +
+ Finally, the third call, `collectGreetings`, is doing the same thing, with a twist: ```groovy title="channel.nf" linenums="82" @@ -538,6 +573,10 @@ This one is a bit more complicated and deserves its own discussion. #### 2.3.3. Operators provide additional wiring options What we're seeing in `convertToUpper.out.collect()` is the use of another operator (like `splitCsv` and `map` in the previous section), called `collect()`. + +
+ Explanation + This operator is used to collect the outputs from multiple calls to the same process (as when we run `sayHello` on multiple greetings independently) and package them into a single channel element. This allows us to take all the separate uppercased greetings produced by the second step of the workflow and feed them all together to a single call in the third step of the pipeline. @@ -545,6 +584,8 @@ If we didn't apply `collect()` to the output of `convertToUpper()` before feedin +
+ There are many other operators available to apply transformations to the contents of channels between process calls. This gives pipeline developers a lot of flexibility for customizing the flow logic of their pipeline. @@ -577,22 +618,30 @@ This can make their development and maintenance more efficient and sustainable. Here we are going to demonstrate the most common form of code modularity in Nextflow, which is the use of **modules**. +
+ Explanation + In Nextflow, a **module** is a single process definition that is encapsulated by itself in a standalone code file. To use a module in a workflow, you just add a single-line import statement to your workflow code file; then you can integrate the process into the workflow the same way you normally would. Putting processes into individual modules makes it possible to reuse process definitions in multiple workflows without producing multiple copies of the code. This makes the code more shareable, flexible and maintainable. +
+ We have of course once again prepared a suitable workflow for demonstration purposes, called `modular.nf`, along with a set of modules located in the `modules/` directory. ### 3.1. Examine the code -This time we're going to look at the code first, so let's open each of the files listed above. +This time we're going to look at the code first, so let's open each of the files listed above (not shown here). -We see that the processes and workflow logic are exactly the same as in the previous version of the workflow. -However, the process code is in the modules instead of being in the main workflow file, and there are now import statements in the workflow file telling Nextflow to pull them in at runtime. +
+ Explanation + +We see that the code for the processes and workflow logic are exactly the same as in the previous version of the workflow. +However, the process code is now located in the modules instead of being in the main workflow file, and there are now import statements in the workflow file telling Nextflow to pull them in at runtime. ```groovy title="hello-modules.nf" linenums="9" hl_lines="4" // Include modules @@ -605,6 +654,9 @@ workflow { You can look inside one of the modules to satisfy yourself that the process definition is unchanged; it's literally just been copy-pasted into a standalone file. +
+ sayHello process module + For example, this is the module containing the `sayHello` process: ```groovy title="modules/sayHello.nf" linenums="1" @@ -630,6 +682,9 @@ process sayHello { } ``` +
+
+ So let's see what it looks like to run this new version. ### 3.2. Run the workflow @@ -643,9 +698,9 @@ nextflow run modular.nf --input greetings.csv -resume Once again this should run successfully.
- Output + Command output -```console title="Output" linenums="1" +```console linenums="1" N E X T F L O W ~ version 25.04.3 Launching `modular.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 @@ -661,7 +716,7 @@ You'll notice that the process executions all cached successfully, meaning that None of that matters to Nextflow; what matters is the job script that is generated once all the code has been pulled together and evaluated. -!!!note +!!! Tip It is also possible to encapsulate a section of a workflow as a 'subworkflow' that can be imported into a larger pipeline, but that is outside the scope of this course. @@ -689,7 +744,7 @@ A much better way to address this problem is to use **containers**. A **container** is a lightweight, standalone, executable unit of software created from a container **image** that includes everything needed to run an application including code, system libraries and settings. -!!! note +!!! Tip We teach this using the technology [Docker](https://www.docker.com/get-started/), but Nextflow supports [several other container technologies](https://www.nextflow.io/docs/latest/container.html#) as well. @@ -729,7 +784,7 @@ docker pull 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' ```
- Output + Command output This gives you the following console output as the system downloads the image: @@ -771,8 +826,8 @@ The general syntax is as follows: docker run --rm '' [tool command] ``` -The `docker run --rm ''` part is the instruction to the container system to spin up a container instance from a container image and execute a command in it. -The `--rm` flag tells the system to shut down the container instance after the command has completed. +- `docker run --rm ''` is the instruction to the container system to spin up a container instance from a container image and execute a command in it. +- `--rm` tells the system to shut down the container instance after the command has completed.
@@ -791,9 +846,9 @@ ls / ```
- Output + Command output -```console title="Output" +```console bin boot dev data etc home lib lib64 media mnt opt proc root run sbin srv sys tmp usr var ``` @@ -801,7 +856,7 @@ bin boot dev data etc home lib lib64 media mnt opt proc root run s You observe see that the filesystem inside the container is different from the filesystem on your host system. -!!! note +!!! Tip When you run a container, it is isolated from the host system by default. This means that the container can't access any files on the host system unless you explicitly allow it to do so by specifying that you want to mount a volume as part of the `docker run` command using the following syntax: @@ -825,7 +880,7 @@ cowpy "Hello Containers" This produces ASCII art of the default cow character (or 'cowacter') with a speech bubble containing the text we specified. -```console title="Output" +```console title="Command output" ______________________________________________________ < Hello Containers > ------------------------------------------------------ @@ -850,7 +905,7 @@ cowpy "Hello Containers" -c tux This time the ASCII art output shows the Linux penguin, Tux, because we specified the `-c tux` parameter. -```console title="Output" +```console title="Command output" __________________ < Hello Containers > ------------------ @@ -867,7 +922,7 @@ This time the ASCII art output shows the Linux penguin, Tux, because we specifie
-Because you're inside the container, you can run the cowpy command as many times as you like, varying the input parameters, without having to worry about install any libraries on your system itself. +Since you're inside the container, you can run the cowpy command as many times as you like, varying the input parameters, without having to worry about install any libraries on your system itself. !!! Tip From 79d399a0649bf318550a5b663e08a42883b16705 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 00:27:48 -0400 Subject: [PATCH 17/49] Remove explanation collapsibles because it kills formatting --- docs/nextflow_run/02_pipeline.md | 90 +++++++------------------------- 1 file changed, 20 insertions(+), 70 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index a114ff20b..84d0b27af 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -55,7 +55,7 @@ executor > local (3)
Excitingly, this seems to indicate that '3 of 3' calls were made for the process, which is encouraging, since there were three rows of data in the CSV we provided as input. -This suggests the sayHello() process was called three times, once on each input row. +This suggests the `sayHello()` process was called three times, once on each input row. ### 1.2. Find the outputs in the `results` directory @@ -116,15 +116,10 @@ No! We only find the output corresponding to one of the greetings (as well as th So what's going on here? -
- Explanation - By default, the ANSI logging system writes the status information for all calls to the same process on the same line. As a result, it only showed us one of the three task directory paths (`8e/0eb066`) in the console output. There are two others that are not listed there. -
- We can modify the logging behavior to see the full list of process calls by adding the `-ansi-log false` to the command as follows: ```bash @@ -235,9 +230,6 @@ In Nextflow, we do that with a **channel**: a construct designed to handle input Let's break it down. -
- Explanation - ```groovy title="channel.nf" linenums="22" workflow { @@ -277,17 +269,12 @@ We have transformed that into an array that looks like this: And then we've taken the first element from each of the three rows and loaded them into a Nextflow channel that now contains: `Hello`, `Bonjour`, and `Holà`. -
- The result of this very short snippet of code is a channel called `greeting_ch` loaded with the three individual greetings from the CSV file, ready for processing. #### 1.4.2. Call the process on each greeting Next, in the last line of the workflow block, we provide the loaded `greeting_ch` channel as input to the `sayHello()` process. -
- Explanation - ```groovy title="channel.nf" linenums="28" sayHello(greeting_ch) } @@ -297,17 +284,12 @@ This tells Nextflow to run the process _individually_ on each element in the cha And because Nextflow is smart like that, it will run these process calls in parallel if possible, depending on the available computing infrastructure. -
- That is how you can achieve efficient and scalable processing of a lot of data (many samples, or data points, whatever is your unit of research) with comparatively very little code. #### 1.4.3. Ensure the outputs are uniquely named Finally, it's worth taking a quick look at how we get the output files to be named uniquely. -
- Explanation - ```groovy title="channel.nf" linenums="13" output: path "${greeting}-output.txt" @@ -322,8 +304,6 @@ You see that, compared to the version of this process in `hello.nf`, the output This is one way to ensure that the output file names won't collide when they get published to the common `results` directory. -
- And that's the only change we've had to make inside the process declaration. ### Takeaway @@ -365,7 +345,7 @@ Once again this should run successfully.
Command output -```console title="Output" linenums="1" +```console linenums="1" N E X T F L O W ~ version 25.04.3 Launching `pipeline.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 @@ -408,7 +388,7 @@ cat results/COLLECTED-output.txt
Command output -```console title="Output" +```console HELLO BONJOUR HOLà @@ -547,9 +527,6 @@ You can see that the first process call, `sayHello(greeting_ch)`, is unchanged. Then the next process call, to `convertToUpper`, _refers_ to the output of `sayHello` as `sayHello.out`. -
- Explanation - ```groovy title="channel.nf" linenums="79" // convert the greeting to uppercase convertToUpper(sayHello.out) @@ -559,8 +536,6 @@ This tells Nextflow to provide `sayHello.out`, which represents the channel outp That is, at its simplest, how we shuttle data from one step to the next in Nextflow. -
- Finally, the third call, `collectGreetings`, is doing the same thing, with a twist: ```groovy title="channel.nf" linenums="82" @@ -574,9 +549,6 @@ This one is a bit more complicated and deserves its own discussion. What we're seeing in `convertToUpper.out.collect()` is the use of another operator (like `splitCsv` and `map` in the previous section), called `collect()`. -
- Explanation - This operator is used to collect the outputs from multiple calls to the same process (as when we run `sayHello` on multiple greetings independently) and package them into a single channel element. This allows us to take all the separate uppercased greetings produced by the second step of the workflow and feed them all together to a single call in the third step of the pipeline. @@ -584,8 +556,6 @@ If we didn't apply `collect()` to the output of `convertToUpper()` before feedin -
- There are many other operators available to apply transformations to the contents of channels between process calls. This gives pipeline developers a lot of flexibility for customizing the flow logic of their pipeline. @@ -618,17 +588,12 @@ This can make their development and maintenance more efficient and sustainable. Here we are going to demonstrate the most common form of code modularity in Nextflow, which is the use of **modules**. -
- Explanation - In Nextflow, a **module** is a single process definition that is encapsulated by itself in a standalone code file. To use a module in a workflow, you just add a single-line import statement to your workflow code file; then you can integrate the process into the workflow the same way you normally would. Putting processes into individual modules makes it possible to reuse process definitions in multiple workflows without producing multiple copies of the code. This makes the code more shareable, flexible and maintainable. -
- We have of course once again prepared a suitable workflow for demonstration purposes, called `modular.nf`, along with a set of modules located in the `modules/` directory. @@ -637,9 +602,6 @@ We have of course once again prepared a suitable workflow for demonstration purp This time we're going to look at the code first, so let's open each of the files listed above (not shown here). -
- Explanation - We see that the code for the processes and workflow logic are exactly the same as in the previous version of the workflow. However, the process code is now located in the modules instead of being in the main workflow file, and there are now import statements in the workflow file telling Nextflow to pull them in at runtime. @@ -655,9 +617,7 @@ workflow { You can look inside one of the modules to satisfy yourself that the process definition is unchanged; it's literally just been copy-pasted into a standalone file.
- sayHello process module - -For example, this is the module containing the `sayHello` process: + Example: sayHello process module ```groovy title="modules/sayHello.nf" linenums="1" #!/usr/bin/env nextflow @@ -682,7 +642,6 @@ process sayHello { } ``` -
So let's see what it looks like to run this new version. @@ -720,7 +679,7 @@ None of that matters to Nextflow; what matters is the job script that is generat It is also possible to encapsulate a section of a workflow as a 'subworkflow' that can be imported into a larger pipeline, but that is outside the scope of this course. - You can learn more about developing composable workflows in te Side Quest on [Workflows of Workflows](https://training.nextflow.io/latest/side_quests/workflows_of_workflows/). + You can learn more about developing composable workflows in the Side Quest on [Workflows of Workflows](https://training.nextflow.io/latest/side_quests/workflows_of_workflows/). ### Takeaway @@ -757,20 +716,14 @@ This will help solidify your understanding of what containers are before we star To use a container, you usually download or "pull" a container image from a container registry, and then run the container image to create a container instance. -
- Syntax details - The general syntax is as follows: ```bash title="Syntax" docker pull '' ``` -The `docker pull` part is the instruction to the container system to pull a container image from a repository. - -The `''` part is the URI address of the container image. - -
+- `docker pull` is the instruction to the container system to pull a container image from a repository. +- `''` is the URI address of the container image. As an example, let's pull a container image that contains [cowpy](https://github.com/jeffbuttars/cowpy), a python implementation of a tool called `cowsay` that generates ASCII art to display arbitrary text inputs in a fun way. @@ -783,12 +736,12 @@ Run the complete pull command: docker pull 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' ``` +This tells the system to download the image specified. +
Command output -This gives you the following console output as the system downloads the image: - -```console title="Output" +```console linenums="1" Unable to find image 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' locally 131d6a1b707a8e65: Pulling from library/cowpy dafa2b0c44d2: Pull complete @@ -817,9 +770,6 @@ Once the download is complete, you have a local copy of the container image. Containers can be run as a one-off command, but you can also use them interactively, which gives you a shell prompt inside the container and allows you to play with the command. -
- Syntax details - The general syntax is as follows: ```bash title="Syntax" @@ -849,7 +799,7 @@ ls / Command output ```console -bin boot dev data etc home lib lib64 media mnt opt proc root run sbin srv sys tmp usr var +bin boot dev etc home lib lib64 media mnt opt proc root run sbin srv sys tmp usr var ```
@@ -869,18 +819,18 @@ You observe see that the filesystem inside the container is different from the f #### 4.1.3. Run the `cowpy` tool -Now that you are inside the container, you can run the `cowpy` command directly. +From inside the container, you can run the `cowpy` command directly. ```bash cowpy "Hello Containers" ``` -
- Output - This produces ASCII art of the default cow character (or 'cowacter') with a speech bubble containing the text we specified. -```console title="Command output" +
+ Command output + +```console ______________________________________________________ < Hello Containers > ------------------------------------------------------ @@ -900,12 +850,12 @@ For example, the tool documentation says we can set the character with `-c`. cowpy "Hello Containers" -c tux ``` -
- Output - This time the ASCII art output shows the Linux penguin, Tux, because we specified the `-c tux` parameter. -```console title="Command output" +
+ Command output + +```console __________________ < Hello Containers > ------------------ From 7cc7bbf147dc2461f6b27f41055bf64091893828 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 01:55:10 -0400 Subject: [PATCH 18/49] Finalize content and formatting for Part 2 --- docs/nextflow_run/01_basics.md | 4 +- docs/nextflow_run/02_pipeline.md | 227 ++++++++++++++++++++++- nextflow-run/container.nf | 27 +++ nextflow-run/modules/collectGreetings.nf | 7 +- nextflow-run/modules/cowpy.nf | 21 +++ nextflow-run/nextflow.config | 1 + 6 files changed, 276 insertions(+), 11 deletions(-) create mode 100644 nextflow-run/container.nf create mode 100644 nextflow-run/modules/cowpy.nf create mode 100644 nextflow-run/nextflow.config diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index b7ba5da01..7b5214cc5 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -513,6 +513,6 @@ You know how to relaunch a pipeline without repeating steps that were already ru ### What's next? -Take a little break! You've just absorbed a big pile of Nextflow syntax and usage instructions. +Take a little break! You've just absorbed the building blocks of Nextflow syntax and basic usage instructions. -In the next section of this training, we're going to look at three successively more realistic versions of the Hello World pipeline that will demonstrate how Nextflow allows you to process multiple inputs efficiently, run workflows composed of multiple steps chained together, and leverage modular code components. +In the next section of this training, we're going to look at four successively more realistic versions of the Hello World pipeline that will demonstrate how Nextflow allows you to process multiple inputs efficiently, run workflows composed of multiple steps connected together, leverage modular code components, and utilize containers for greater reproducibility and portability. diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 84d0b27af..b3392ab3a 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -890,15 +890,234 @@ You will find yourself back in your normal shell. ### 4.2. Use a container in a workflow -TODO: clone the content from hello_containers.md +When we run a pipeline, we want to be able to tell Nextflow what container to use at each step, and importantly, we want it to handle all that work we just did: pull the container, spin it up, run the command and tear the container down when it's done. + +Good news: that's exactly what Nextflow is going to do for us. +We just need to specify a container for each process. + +To demonstrate how this work, we made another version of our workflow that runs `cowpy` on the file of collected greetings produced in the third step. + +#### 4.2.1. Examine the code + +The workflow is very similar to the previous one, plus the extra step to run `cowpy. +The differences are highlighted in the code snippet below. + +
+ Code + +```groovy title="container.nf" linenums="1" hl_lines="7 25 26" +#!/usr/bin/env nextflow + +// Include modules +include { sayHello } from './modules/sayHello.nf' +include { convertToUpper } from './modules/convertToUpper.nf' +include { collectGreetings } from './modules/collectGreetings.nf' +include { cowpy } from './modules/cowpy.nf' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.input) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) + + // convert the greeting to uppercase + convertToUpper(sayHello.out) + + // collect all the greetings into one file + collectGreetings(convertToUpper.out.collect()) + + // generate ASCII art with cowpy + cowpy(collectGreetings.out, params.character) +} +``` + +
+ +You see that this workflow imports a `cowpy` process from a module file, and calls it on the output of the `collectGreetings()` call. + +```groovy title="modules/cowpy.nf" linenums="26" +cowpy(collectGreetings.out, params.character) +``` + +The `cowpy` process, which wraps the cowpy command to generate ASCII art, is defined in the `cowpy.nf` module. + +
+ Code + +```groovy title="modules/cowpy.nf" linenums="1" hl_lines="7" +#!/usr/bin/env nextflow + +// Generate ASCII art with cowpy +process cowpy { + + publishDir 'results', mode: 'copy' + + + input: + path input_file + val character + + output: + path "cowpy-${input_file}" + + script: + """ + cat $input_file | cowpy -c "$character" > cowpy-${input_file} + """ + +} +``` + +
+ +The `cowpy` process requires two inputs: the path to an input file containing the text to put in the speech bubble (`input_file`), and a value for the character variable. + +Importantly, it also includes the line `container 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273'`, which points to the container URI we used earlier. + +#### 4.2.2. Check that Docker is enabled in the configuration + +We're going to slightly anticipate Part 3 of this training course by introducing the topic of configuration. + +One of the main ways Nextflow offers for configuring workflow execution is to use a `nextflow.config` file. +When such a file is present in the current directory, Nextflow will automatically load it in and apply any configuration it contains. + +To that end, we include a `nextflow.config` file with a single line of code that enables Docker. + +```groovy title="nextflow.config" linenums="1" +docker.enabled = true +``` + +You can check that this is indeed set correctly either by opening the file, or by running the `nextflow config` command in the terminal. + +```bash +nextflow config +``` + +
+ Command output + +```json title="nextflow.config" linenums="1" +docker { + enabled = false +} +``` + +
+ +That tells Nextflow to use Docker for any process that specifies a compatible container. + +!!! Tip + + It is possible to enable Docker execution from the command-line, on a per-run basis, using the `-with-docker ` parameter. + However, that only allows us to specify one container for the entire workflow, whereas the approach we just showed you allows us to specify a different container per process. + This is better for modularity, code maintenance and reproducibility. + +#### 4.2.3. Run the workflow + +Let's run the workflow with the `-resume` flag, and specify that we want the character to be the turkey. + +```bash +nextflow run container.nf --input greetings.csv --character turkey -resume +``` + +This should work without error. + +
+ Command output + +```console linenums="1" + N E X T F L O W ~ version 25.04.3 + +Launching `container.nf` [elegant_brattain] DSL2 - revision: 028a841db1 + +executor > local (1) +[95/fa0bac] sayHello (3) | 3 of 3, cached: 3 ✔ +[92/32533f] convertToUpper (3) | 3 of 3, cached: 3 ✔ +[aa/e697a2] collectGreetings | 1 of 1, cached: 1 ✔ +[7f/caf718] cowpy | 1 of 1 ✔ +``` + +
+ +The first three steps cached since we've already run them before, but the `cowpy` process is new so that actually gets run. + +You can find the output of the `cowpy` step in the `results` directory. + +
+ Output file contents + +```console title="results/cowpy-COLLECTED-output.txt" + _________ +/ HOLà \ +| HELLO | +\ BONJOUR / + --------- + \ ,+*^^*+___+++_ + \ ,*^^^^ ) + \ _+* ^**+_ + \ +^ _ _++*+_+++_, ) + _+^^*+_ ( ,+*^ ^ \+_ ) + { ) ( ,( ,_+--+--, ^) ^\ + { (\@) } f ,( ,+-^ __*_*_ ^^\_ ^\ ) + {:;-/ (_+*-+^^^^^+*+*<_ _++_)_ ) ) / + ( / ( ( ,___ ^*+_+* ) < < \ + U _/ ) *--< ) ^\-----++__) ) ) ) + ( ) _(^)^^)) ) )\^^^^^))^*+/ / / + ( / (_))_^)) ) ) ))^^^^^))^^^)__/ +^^ + ( ,/ (^))^)) ) ) ))^^^^^^^))^^) _) + *+__+* (_))^) ) ) ))^^^^^^))^^^^^)____*^ + \ \_)^)_)) ))^^^^^^^^^^))^^^^) + (_ ^\__^^^^^^^^^^^^))^^^^^^^) + ^\___ ^\__^^^^^^))^^^^^^^^)\\ + ^^^^^\uuu/^^\uuu/^^^^\^\^\^\^\^\^\^\ + ___) >____) >___ ^\_\_\_\_\_\_\) + ^^^//\\_^^//\\_^ ^(\_\_\_\) + ^^^ ^^ ^^^ ^ +``` + +What a beautiful turkey! + +
+ +You see that the character is saying all the greetings, since it ran on the file of collected uppercased greetings. + +More to the point, we were able to run this as part of our pipeline without having to do a proper installation of cowpy and all its dependencies. +And we can now share the pipeline with collaborators and have them run it on their infrastructure without them needing to install anything either, aside from Docker or one of its alternatives (such as Singularity/Apptainer) as mentioned above. + +#### 4.2.4. Inspect how Nextflow launched the containerized task + +Let's take a look at the work subdirectory for one of the `cowpy` process calls to get a bit more insight on how Nextflow works with containers under the hood. + +Check the output from your `nextflow run` command to find the path to the work subdirectory for the `cowpy` process. +Looking at what we got for the run shown above, the console log line for the `cowpy` process starts with `[7f/caf718]`. +That corresponds to the following truncated directory path: `work/7f/caf718`. +In it, you will find the `.command.run` file that contains all the commands Nextflow ran on your behalf in the course of executing the pipeline. + +Open the `.command.run` file and search for `nxf_launch`; you should see something like this: + +```bash +nxf_launch() { + docker run -i --cpu-shares 1024 -e "NXF_TASK_WORKDIR" -v /workspaces/training/hello-nextflow/work:/workspaces/training/hello-nextflow/work -w "$NXF_TASK_WORKDIR" --name $NXF_BOXID community.wave.seqera.io/library/pip_cowpy:131d6a1b707a8e65 /bin/bash -ue /workspaces/training/hello-nextflow/work/7f/caf7189fca6c56ba627b75749edcb3/.command.sh +} +``` + +As you can see, Nextflow is using the `docker run` command to launch the process call. +It also mounts the corresponding work subdirectory into the container, sets the working directory inside the container accordingly, and runs our templated bash script in the `.command.sh` file. + +This confirms that all the hard work we had to do manually in the previous section is now done for us by Nextflow! ### Takeaway You understand what role containers play in managing software tool versions and ensuring reproducibility. -More generally, you have a basic understanding of the most common and most important components of real-world Nexflow pipelines. +More generally, you have a basic understanding of what are the core components of real-world Nextflow pipelines and how they are organized. +You know the fundamentals of how Nextflow can process multiple inputs efficiently, run workflows composed of multiple steps connected together, leverage modular code components, and utilize containers for greater reproducibility and portability. ### What's next? -Take another break! -TODO: finalize the transition text +Take another break! That was a big pile of information about how Nextflow pipelines work. +In the next section of this training, we're going to delve deeper into the topic of configuration. diff --git a/nextflow-run/container.nf b/nextflow-run/container.nf new file mode 100644 index 000000000..e8c6b1caa --- /dev/null +++ b/nextflow-run/container.nf @@ -0,0 +1,27 @@ +#!/usr/bin/env nextflow + +// Include modules +include { sayHello } from './modules/sayHello.nf' +include { convertToUpper } from './modules/convertToUpper.nf' +include { collectGreetings } from './modules/collectGreetings.nf' +include { cowpy } from './modules/cowpy.nf' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.input) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) + + // convert the greeting to uppercase + convertToUpper(sayHello.out) + + // collect all the greetings into one file + collectGreetings(convertToUpper.out.collect()) + + // generate ASCII art with cowpy + cowpy(collectGreetings.out, params.character) +} diff --git a/nextflow-run/modules/collectGreetings.nf b/nextflow-run/modules/collectGreetings.nf index 849bba4b6..01ffb28a8 100644 --- a/nextflow-run/modules/collectGreetings.nf +++ b/nextflow-run/modules/collectGreetings.nf @@ -7,15 +7,12 @@ process collectGreetings { input: path input_files - val batch_name output: - path "COLLECTED-${batch_name}-output.txt" , emit: outfile - val count_greetings , emit: count + path "COLLECTED-output.txt" script: - count_greetings = input_files.size() """ - cat ${input_files} > 'COLLECTED-${batch_name}-output.txt' + cat ${input_files} > 'COLLECTED-output.txt' """ } diff --git a/nextflow-run/modules/cowpy.nf b/nextflow-run/modules/cowpy.nf new file mode 100644 index 000000000..6b213d673 --- /dev/null +++ b/nextflow-run/modules/cowpy.nf @@ -0,0 +1,21 @@ +#!/usr/bin/env nextflow + +// Generate ASCII art with cowpy +process cowpy { + + publishDir 'results', mode: 'copy' + container 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' + + input: + path input_file + val character + + output: + path "cowpy-${input_file}" + + script: + """ + cat $input_file | cowpy -c "$character" > cowpy-${input_file} + """ + +} diff --git a/nextflow-run/nextflow.config b/nextflow-run/nextflow.config new file mode 100644 index 000000000..d3af3eaae --- /dev/null +++ b/nextflow-run/nextflow.config @@ -0,0 +1 @@ +docker.enabled = true From ade92346341acc17683b47741ca2f3ab76e0e237 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 02:13:25 -0400 Subject: [PATCH 19/49] Tweaked display in Part 1 for consistency with Part 2 --- docs/nextflow_run/01_basics.md | 113 +++++++++++++++++++++---------- docs/nextflow_run/02_pipeline.md | 7 +- 2 files changed, 82 insertions(+), 38 deletions(-) diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index 7b5214cc5..48a57138e 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -2,7 +2,7 @@ In this first part of the Nextflow Run training course, we ease into the topic with a very basic domain-agnostic Hello World example, which we'll use to demonstrate essential operations and point out the corresponding Nextflow code components. -!!! note +!!! Tip A "Hello World!" is a minimalist example that is meant to demonstrate the basic syntax and structure of a programming language or software framework. The example typically consists of printing the phrase "Hello, World!" to the output device, such as the console or terminal, or writing it to a file. @@ -11,7 +11,7 @@ In this first part of the Nextflow Run training course, we ease into the topic w Let's demonstrate this with a simple command that we run directly in the terminal, to show what it does before we wrap it in Nextflow. -!!! tip +!!! Tip Remember that you should now be inside the `nextflow-run/` directory as described in the Orientation. @@ -51,13 +51,9 @@ The text 'Hello World' is now in the output file we specified. Hello World! ``` -!!! tip +!!! Tip - In the training environment, you can also find the output file in the file explorer, and view its contents by clicking on it. Alternatively, you can use the `code` command to open the file for viewing. - - ```bash - code output.txt - ``` + In the training environment, you can also find the output file in the file explorer, and view its contents by clicking on it. ### Takeaway @@ -108,30 +104,31 @@ That's great, but you may be wondering: where is the output? ### 1.2. Find the output file in the `results` directory This workflow is configured to publish its output to a directory called `results`. -If you look at your current directory, you will see that when you ran the workflow, Nextflow created a new directory called `results`, which contains a file called `output.txt`: - -```bash -tree results -``` +If you look at your current directory, you will see that when you ran the workflow, Nextflow created a new directory called `results`, which contains a file called `output.txt`. -```console title="Output" linenums="1" +```console title="results/" linenums="1" results └── output.txt ``` Open the file; the contents should match the string you specified on the command line. +
+ File contents + ```console title="results/output.txt" linenums="1" Hello World! ``` +
+ That's great, our workflow did what it was supposed to do! However, be aware that the 'published' result is a copy (or in some cases a symlink) of the actual output produced by Nextflow when it executed the workflow. So now, we are going to peek under the hood to see where Nextflow actually executed the work. -!!! warn +!!! Warning Not all workflows will be set up to publish outputs to a results directory, and/or the directory name may be different. A little further in this section, we will show you how to find out where this behavior is specified. @@ -147,7 +144,7 @@ That may sound confusing, so let's see what that looks like in practice. Going back to the console output for the workflow we ran earlier, we had this line: -```console title="Output" linenums="6" +```console title="Excerpt of command output" linenums="6" [a3/7be2fa] sayHello | 1 of 1 ✔ ``` @@ -164,7 +161,7 @@ This should yield the full path directory path: `work/a3/7be2fa7be2fad5e71e5f499 Let's take a look at what's in there. -!!! tip +!!! Tip If you browse the contents of the task subdirectory in the VSCode file explorer, you'll see all the files right away. However, the log files are set to be invisible in the terminal, so if you want to use `ls` or `tree` to view them, you'll need to set the relevant option for displaying invisible files. @@ -173,9 +170,12 @@ Let's take a look at what's in there. tree -a work ``` -You should see something like this, though the exact subdirectory names will be different on your system: +The exact subdirectory names will be different on your system. + +
+ Directory contents -```console title="Directory contents" +```console title="work/" work └── a3 └── 7be2fad5e71e5f49998f795677fd68 @@ -189,13 +189,20 @@ work └── output.txt ``` +
+ You should immediately recognize the `output.txt` file, which is in fact the original output of the `sayHello` process that got published to the `results` directory. If you open it, you will find the `Hello World!` greeting again. +
+ File contents + ```console title="work/a3/7be2fa7be2fad5e71e5f49998f795677fd68/output.txt" linenums="1" Hello World! ``` +
+ So what about all those other files? These are the helper and log files that Nextflow wrote as part of the task execution: @@ -210,15 +217,20 @@ These are the helper and log files that Nextflow wrote as part of the task execu The `.command.sh` file is especially useful because it tells you what command Nextflow actually executed. +
+ File contents + ```console title="work/a3/7be2fa7be2fad5e71e5f49998f795677fd68/command.sh" linenums="1" #!/bin/bash -ue echo 'Hello World!' > output.txt ``` +
+ So this confirms that the workflow composed the same command we ran directly on the command-line earlier. -!!! note +!!! Tip When something goes wrong and you need to troubleshoot what happened, it can be useful to look at the `command.sh` script to check exactly what command Nextflow composed based on the workflow instructions, variable interpolation and so on. @@ -249,10 +261,8 @@ _The goal here is not to memorize the syntax of Nextflow code, but to form some Let's open the `hello.nf` script in the editor pane. -!!! note - - The file is in the `hello-nextflow` directory, which should be your current working directory. - You can either click on the file in the file explorer, or type `ls` in the terminal and Cmd+Click (MacOS) or Ctrl+Click (PC) on the file to open it. +
+ Code ```groovy title="hello.nf" linenums="1" #!/usr/bin/env nextflow @@ -283,7 +293,9 @@ workflow { } ``` -As you can see, a Nextflow script involves two main types of core components: one or more **processes**, and the **workflow** itself. +
+ +A Nextflow script involves two main types of core components: one or more **processes**, and the **workflow** itself. Each **process** describes what operation(s) the corresponding step in the pipeline should accomplish, while the **workflow** describes the dataflow logic that connects the various steps. Let's take a closer look at the **process** block first, then we'll look at the **workflow** block. @@ -296,6 +308,9 @@ The process body must contain a script block which specifies the command to run, Here we have a **process** called `sayHello` that takes an **input** variable called `greeting` and writes its **output** to a file named `output.txt`. +
+ Code + ```groovy title="hello.nf" linenums="3" /* * Use echo to print a greeting to a file @@ -317,13 +332,15 @@ process sayHello { } ``` + + This is a very minimal process definition that just contains an `input` definition, an `output` definition and the `script` to execute. The `input` definition includes the `val` qualifier, which tells Nextflow to expect a value of some kind (can be a string, a number, whatever). The `output` definition includes the `path` qualifier, which tells Nextflow this should be handled as a path (includes both directory paths and files). -!!! note +!!! Tip The output definition does not _determine_ what output will be created. It simply _declares_ what is the expected output, so that Nextflow can look for it once execution is complete. @@ -339,7 +356,6 @@ The second block of code describes the **workflow** itself. The workflow definition starts with the keyword `workflow`, followed by an optional name, then the workflow body delimited by curly braces. Here we have a **workflow** that consists of one call to the `sayHello` process, which takes an input, `params.greeting`, which holds the value we gave to the `--greeting` parameter. -. ```groovy title="hello.nf" linenums="22" workflow { @@ -361,7 +377,7 @@ The `params.greeting` we provide to the `sayHello()` process call is a neat bit As mentioned above, that's how we pass the value of the `--greeting` command-line parameter to the `sayHello()` process call. In fact, simply declaring `params.someParameterName` will enable us to give the workflow a parameter named `--someParameterName` from the command-line. -!!! note +!!! Tip These workflow parameters declared using the `params` system always take two dashes (`--`). This distinguishes them from Nextflow-level parameters, which only take one dash (`-`). @@ -403,7 +419,10 @@ nextflow run hello-world-plus.nf -resume The console output should look similar. -```console title="Output" linenums="1" +
+ Command output + +```console linenums="1" N E X T F L O W ~ version 25.04.3 Launching `hello-world-plus.nf` [golden_cantor] DSL2 - revision: 35bd3425e5 @@ -411,12 +430,14 @@ Launching `hello-world-plus.nf` [golden_cantor] DSL2 - revision: 35bd3425e5 [62/49a1f8] sayHello | 1 of 1, cached: 1 ✔ ``` +
+ Look for the `cached:` bit that has been added in the process status line (line 5), which means that Nextflow has recognized that it has already done this work and simply re-used the result from the previous successful run. You can also see that the work subdirectory hash is the same as in the previous run. Nextflow is literally pointing you to the previous execution and saying "I already did that over there." -!!! note +!!! Tip When your re-run a pipeline with `resume`, Nextflow does not overwrite any files written to a `publishDir` directory by any process call that was previously run successfully. @@ -424,9 +445,10 @@ Nextflow is literally pointing you to the previous execution and saying "I alrea Whenever you launch a nextflow workflow, a line gets written to a log file called `history`, under a hidden directory called `.nextflow` in the current working directory. -If you open it, the contents should look something like this: +
+ File contents -```console title=".nextflow/history" linenums="1" +```txt title=".nextflow/history" linenums="1" 2025-07-04 19:27:09 1.8s wise_watson OK 3539118582ccde68dde471cc2c66295c a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello.nf --greeting 'Hello World' 2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582ccde68dde471cc2c66295c 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello.nf --greeting Bonjour 2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582ccde68dde471cc2c66295c 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello.nf --greeting 'Dobry den' @@ -434,7 +456,9 @@ If you open it, the contents should look something like this: 2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa -resume ``` -This gives you the timestamp, run name, status, revision ID, session ID and full command line for every Nextflow run that has been launched from within the current working directory. +
+ +This file gives you the timestamp, run name, status, revision ID, session ID and full command line for every Nextflow run that has been launched from within the current working directory. A more convenient way to access this information is to use the `nextflow log` command. @@ -442,9 +466,12 @@ A more convenient way to access this information is to use the `nextflow log` co nextflow log ``` -This will output the contents of the log file to the terminal, augmented with a header line: +This will output the contents of the log file to the terminal, augmented with a header line. -```console title="Output" linenums="1" +
+ Command output + +```console linenums="1" TIMESTAMP DURATION RUN NAME STATUS REVISION ID SESSION ID COMMAND 2025-07-04 19:27:09 1.8s wise_watson OK 3539118582 a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello.nf --greeting 'Hello World' 2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello.nf --greeting Bonjour @@ -453,6 +480,8 @@ TIMESTAMP DURATION RUN NAME STATUS REVISION 2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa -resume ``` +
+ You'll notice that the session ID changes whenever you run a new `nextflow run` command, EXCEPT if you're using the `-resume` option. In that case, the session ID stays the same. @@ -476,7 +505,10 @@ Once we have that, first we try the `nextflow clean` command using the dry run f nextflow clean -before backstabbing_swartz -n ``` -The output should look like this: +The output will have different task directory names and may have a different number of lines, but it should look similar to the example given below. + +
+ Command output ```console title="Output" Would remove /workspaces/training/hello-nextflow/work/eb/1a5de36637b475afd88fca7f79e024 @@ -484,6 +516,8 @@ Would remove /workspaces/training/hello-nextflow/work/6b/19b0e002ea13486d3a0344c Would remove /workspaces/training/hello-nextflow/work/45/9a6dd7ab771f93003d040956282883 ``` +
+ If you don't see any lines output, you either did not provide a valid run name or there are no past runs to delete. If the output looks as expected and you want to proceed with the deletion, re-run the command with the `-f` flag instead of `-n`: @@ -492,7 +526,10 @@ If the output looks as expected and you want to proceed with the deletion, re-ru nextflow clean -before backstabbing_swartz -f ``` -You should now see the following: +The output should be similar to before, but now saying 'Removed' instead of 'Would remove'. + +
+ Command output ```console title="Output" Removed /workspaces/training/hello-nextflow/work/eb/1a5de36637b475afd88fca7f79e024 @@ -500,6 +537,8 @@ Removed /workspaces/training/hello-nextflow/work/6b/19b0e002ea13486d3a0344c336c1 Removed /workspaces/training/hello-nextflow/work/45/9a6dd7ab771f93003d040956282883 ``` +
+ !!! Warning Deleting work subdirectories from past runs removes them from Nextflow's cache and deletes any outputs that were stored in those directories. diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index b3392ab3a..f090c818f 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -16,13 +16,18 @@ To enable this efficiently, Nextflow uses a system of queues called **channels** To demonstrate this, we've prepared a a CSV file called `greetings.csv` that contains several input greetings, mimicking the kind of columnar data you might want to process in a real data analysis. +
+ CSV file contents + ```csv title="greetings.csv" linenums="1" Hello,English,123 Bonjour,French,456 Holà,Spanish,789 ``` -_The numbers are not meaningful, they are just there for illustrative purposes._ +Note that the numbers are not meaningful, they are just there for illustrative purposes. + +
And we've written an improved version of the original workflow, now called `channel.nf`, that will read in the CSV file, extract the greetings and write each of them to a separate file. From 6cc9c3706504b4f415fec536f140c197ce398f45 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 02:22:07 -0400 Subject: [PATCH 20/49] Minor tweaks --- docs/nextflow_run/02_pipeline.md | 22 +++++++++++++--------- 1 file changed, 13 insertions(+), 9 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index f090c818f..a1f8d705c 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -1095,22 +1095,25 @@ And we can now share the pipeline with collaborators and have them run it on the #### 4.2.4. Inspect how Nextflow launched the containerized task -Let's take a look at the work subdirectory for one of the `cowpy` process calls to get a bit more insight on how Nextflow works with containers under the hood. +Let's take a look at the `.command.run` file inside the task directory where the `cowpy` call was executed. +This file contains all the commands Nextflow ran on your behalf in the course of executing the pipeline. -Check the output from your `nextflow run` command to find the path to the work subdirectory for the `cowpy` process. -Looking at what we got for the run shown above, the console log line for the `cowpy` process starts with `[7f/caf718]`. -That corresponds to the following truncated directory path: `work/7f/caf718`. -In it, you will find the `.command.run` file that contains all the commands Nextflow ran on your behalf in the course of executing the pipeline. +Open the `.command.run` file and search for `nxf_launch` to find the launch command Nextflow used. -Open the `.command.run` file and search for `nxf_launch`; you should see something like this: +
+ Partial file contents + +````console title="work/7f/caf7189fca6c56ba627b75749edcb3/.command.run" ```bash nxf_launch() { - docker run -i --cpu-shares 1024 -e "NXF_TASK_WORKDIR" -v /workspaces/training/hello-nextflow/work:/workspaces/training/hello-nextflow/work -w "$NXF_TASK_WORKDIR" --name $NXF_BOXID community.wave.seqera.io/library/pip_cowpy:131d6a1b707a8e65 /bin/bash -ue /workspaces/training/hello-nextflow/work/7f/caf7189fca6c56ba627b75749edcb3/.command.sh + docker run -i --cpu-shares 1024 -e "NXF_TASK_WORKDIR" -v /workspaces/training/hello-nextflow/work:/workspaces/training/hello-nextflow/work -w "$NXF_TASK_WORKDIR" --name $NXF_BOXID community.wave.seqera.io/library/pip_cowpy:131d6a1b707a8e65 /bin/bash -ue /workspaces/training/nextflow-run/work/7f/caf7189fca6c56ba627b75749edcb3/.command.sh } -``` +```` + +
-As you can see, Nextflow is using the `docker run` command to launch the process call. +This launch command shows that Nextflow is using a very similar `docker run` command to launch the process call as we did when we ran it manually. It also mounts the corresponding work subdirectory into the container, sets the working directory inside the container accordingly, and runs our templated bash script in the `.command.sh` file. This confirms that all the hard work we had to do manually in the previous section is now done for us by Nextflow! @@ -1126,3 +1129,4 @@ You know the fundamentals of how Nextflow can process multiple inputs efficientl Take another break! That was a big pile of information about how Nextflow pipelines work. In the next section of this training, we're going to delve deeper into the topic of configuration. +You will learn how to configure the execution of your pipeline to fit your infrastructure as well as manage configuration of inputs and parameters. From 2857bba47fcc0484dae15da906eb4f4d891e9064 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 02:56:55 -0400 Subject: [PATCH 21/49] renamed workflow files --- docs/nextflow_run/01_basics.md | 34 +++++----- docs/nextflow_run/02_pipeline.md | 51 +++++++------- docs/nextflow_run/03_config.md | 68 ++++--------------- nextflow-run/{hello.nf => 1-hello.nf} | 0 nextflow-run/{channel.nf => 2a-inputs.nf} | 0 nextflow-run/{pipeline.nf => 2b-multistep.nf} | 0 nextflow-run/{modular.nf => 2c-modules.nf} | 0 .../{container.nf => 2d-container.nf} | 0 nextflow-run/3-main.nf | 27 ++++++++ nextflow-run/modules/cowpy.nf | 3 +- 10 files changed, 87 insertions(+), 96 deletions(-) rename nextflow-run/{hello.nf => 1-hello.nf} (100%) rename nextflow-run/{channel.nf => 2a-inputs.nf} (100%) rename nextflow-run/{pipeline.nf => 2b-multistep.nf} (100%) rename nextflow-run/{modular.nf => 2c-modules.nf} (100%) rename nextflow-run/{container.nf => 2d-container.nf} (100%) create mode 100644 nextflow-run/3-main.nf diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index 48a57138e..7a7a32280 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -67,7 +67,7 @@ Find out what it takes to run a Nextflow workflow that achieves the same result. ## 1. Run the workflow -We provide you with a workflow script named `hello.nf` that takes an input via a command-line argument named `--greeting` and produces a text file containing that greeting. +We provide you with a workflow script named `1-hello.nf` that takes an input via a command-line argument named `--greeting` and produces a text file containing that greeting. We're not going to look at the code yet; first let's see what it looks like to run it. ### 1.1. Launch the workflow and monitor execution @@ -75,7 +75,7 @@ We're not going to look at the code yet; first let's see what it looks like to r In the terminal, run the following command: ```bash -nextflow run hello.nf --greeting 'Hello World!' +nextflow run 1-hello.nf --greeting 'Hello World!' ``` You console output should look something like this: @@ -83,7 +83,7 @@ You console output should look something like this: ```console title="Output" linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `hello.nf` [goofy_torvalds] DSL2 - revision: c33d41f479 +Launching `1-hello.nf` [goofy_torvalds] DSL2 - revision: c33d41f479 executor > local (1) [a3/7be2fa] sayHello | 1 of 1 ✔ @@ -259,12 +259,12 @@ _The goal here is not to memorize the syntax of Nextflow code, but to form some ### 2.1. Examine the overall code structure -Let's open the `hello.nf` script in the editor pane. +Let's open the `1-hello.nf` script in the editor pane.
Code -```groovy title="hello.nf" linenums="1" +```groovy title="1-hello.nf" linenums="1" #!/usr/bin/env nextflow /* @@ -311,7 +311,7 @@ Here we have a **process** called `sayHello` that takes an **input** variable ca
Code -```groovy title="hello.nf" linenums="3" +```groovy title="1-hello.nf" linenums="3" /* * Use echo to print a greeting to a file */ @@ -357,7 +357,7 @@ The workflow definition starts with the keyword `workflow`, followed by an optio Here we have a **workflow** that consists of one call to the `sayHello` process, which takes an input, `params.greeting`, which holds the value we gave to the `--greeting` parameter. -```groovy title="hello.nf" linenums="22" +```groovy title="1-hello.nf" linenums="22" workflow { // emit a greeting @@ -449,11 +449,11 @@ Whenever you launch a nextflow workflow, a line gets written to a log file calle File contents ```txt title=".nextflow/history" linenums="1" -2025-07-04 19:27:09 1.8s wise_watson OK 3539118582ccde68dde471cc2c66295c a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello.nf --greeting 'Hello World' -2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582ccde68dde471cc2c66295c 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello.nf --greeting Bonjour -2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582ccde68dde471cc2c66295c 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello.nf --greeting 'Dobry den' -2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa -2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa -resume +2025-07-04 19:27:09 1.8s wise_watson OK 3539118582ccde68dde471cc2c66295c a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run 1-hello.nf --greeting 'Hello World' +2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582ccde68dde471cc2c66295c 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run 1-hello.nf --greeting Bonjour +2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582ccde68dde471cc2c66295c 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run 1-hello.nf --greeting 'Dobry den' +2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run 1-hello.nf --greeting Konnichiwa +2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582ccde68dde471cc2c66295c 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run 1-hello.nf --greeting Konnichiwa -resume ```
@@ -473,11 +473,11 @@ This will output the contents of the log file to the terminal, augmented with a ```console linenums="1" TIMESTAMP DURATION RUN NAME STATUS REVISION ID SESSION ID COMMAND -2025-07-04 19:27:09 1.8s wise_watson OK 3539118582 a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run hello.nf --greeting 'Hello World' -2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run hello.nf --greeting Bonjour -2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run hello.nf --greeting 'Dobry den' -2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa -2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run hello.nf --greeting Konnichiwa -resume +2025-07-04 19:27:09 1.8s wise_watson OK 3539118582 a02c9c46-c3c7-4085-9139-d1b9b5b194c8 nextflow run 1-hello.nf --greeting 'Hello World' +2025-07-04 19:27:20 2.9s spontaneous_blackwell OK 3539118582 59a5db23-d83c-4c02-a54e-37ddb73a337e nextflow run 1-hello.nf --greeting Bonjour +2025-07-04 19:27:31 1.8s gigantic_yonath OK 3539118582 5acaa83a-6ad6-4509-bebc-cb25d5d7ddd0 nextflow run 1-hello.nf --greeting 'Dobry den' +2025-07-04 19:27:45 2.4s backstabbing_swartz OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run 1-hello.nf --greeting Konnichiwa +2025-07-04 19:27:57 2.1s goofy_wilson OK 3539118582 5f4b3269-5b53-404a-956c-cac915fbb74e nextflow run 1-hello.nf --greeting Konnichiwa -resume ```
diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index a1f8d705c..f1c0b3836 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -1,7 +1,7 @@ # Part 2: Run pipelines In Part 1 of this course (Run Basic Operations), we started with an example workflow that had only minimal features in order to keep the code complexity low. -For example, `hello.nf` used a command-line parameter (`--greeting`) to provide a single value at a time. +For example, `1-hello.nf` used a command-line parameter (`--greeting`) to provide a single value at a time. However, most real-world pipelines use more sophisticated features in order to enable efficient processing of large amounts of data at scale, and apply multiple processing steps chained together by sometimes complex logic. @@ -29,7 +29,7 @@ Note that the numbers are not meaningful, they are just there for illustrative p
-And we've written an improved version of the original workflow, now called `channel.nf`, that will read in the CSV file, extract the greetings and write each of them to a separate file. +And we've written an improved version of the original workflow, now called `2a-inputs.nf`, that will read in the CSV file, extract the greetings and write each of them to a separate file. @@ -40,7 +40,7 @@ Let's run the workflow first, and we'll take a look at the relevant Nextflow cod Run the following command in your terminal. ```bash -nextflow run channel.nf --input greetings.csv +nextflow run 2a-inputs.nf --input greetings.csv ``` This should run without error. @@ -51,7 +51,7 @@ This should run without error. ```console linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `channel.nf` [mighty_sammet] DSL2 - revision: 29fb5352b3 +Launching `2a-inputs.nf` [mighty_sammet] DSL2 - revision: 29fb5352b3 executor > local (3) [8e/0eb066] sayHello (2) [100%] 3 of 3 ✔ @@ -128,7 +128,7 @@ There are two others that are not listed there. We can modify the logging behavior to see the full list of process calls by adding the `-ansi-log false` to the command as follows: ```bash -nextflow run channel.nf --input greetings.csv -ansi-log false +nextflow run 2a-inputs.nf --input greetings.csv -ansi-log false ``` This time we see all three process runs and their associated work subdirectories listed in the output. @@ -138,7 +138,7 @@ This time we see all three process runs and their associated work subdirectories ```console linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `channel.nf` [pedantic_hamilton] DSL2 - revision: 6bbc42e49f +Launching `2a-inputs.nf` [pedantic_hamilton] DSL2 - revision: 6bbc42e49f [ab/1a8ece] Submitted process > sayHello (1) [0d/2cae24] Submitted process > sayHello (2) [b5/0df1d6] Submitted process > sayHello (3) @@ -191,7 +191,7 @@ Once again, we're not aiming to memorize code syntax, but to identify signature
Code -```groovy title="channel.nf" linenums="1" +```groovy title="2a-inputs.nf" linenums="1" #!/usr/bin/env nextflow /* @@ -235,7 +235,7 @@ In Nextflow, we do that with a **channel**: a construct designed to handle input Let's break it down. -```groovy title="channel.nf" linenums="22" +```groovy title="2a-inputs.nf" linenums="22" workflow { // create a channel for inputs from a CSV file @@ -280,7 +280,7 @@ The result of this very short snippet of code is a channel called `greeting_ch` Next, in the last line of the workflow block, we provide the loaded `greeting_ch` channel as input to the `sayHello()` process. -```groovy title="channel.nf" linenums="28" +```groovy title="2a-inputs.nf" linenums="28" sayHello(greeting_ch) } ``` @@ -295,7 +295,7 @@ That is how you can achieve efficient and scalable processing of a lot of data ( Finally, it's worth taking a quick look at how we get the output files to be named uniquely. -```groovy title="channel.nf" linenums="13" +```groovy title="2a-inputs.nf" linenums="13" output: path "${greeting}-output.txt" @@ -305,7 +305,7 @@ Finally, it's worth taking a quick look at how we get the output files to be nam """ ``` -You see that, compared to the version of this process in `hello.nf`, the output declaration and the relevant bit of the command have changed to include the greeting value in the output file name. +You see that, compared to the version of this process in `1-hello.nf`, the output declaration and the relevant bit of the command have changed to include the greeting value in the output file name. This is one way to ensure that the output file names won't collide when they get published to the common `results` directory. @@ -331,7 +331,7 @@ To that end, we provide you with an example workflow that chains together three 1. Making data flow from one process to the next 2. Collecting outputs from multiple process calls into a single process call -Specifically, we made an expanded version of the workflow called `pipeline.nf` that takes each input greeting, converts it to uppercase, then collects all the uppercased greetings into a single output file. +Specifically, we made an expanded version of the workflow called `2b-multistep.nf` that takes each input greeting, converts it to uppercase, then collects all the uppercased greetings into a single output file. @@ -342,7 +342,7 @@ As previously, we'll run the workflow first then look at the code to see what's Run the following command in your terminal: ```bash -nextflow run pipeline.nf --input greetings.csv +nextflow run 2b-multistep.nf --input greetings.csv ``` Once again this should run successfully. @@ -353,7 +353,7 @@ Once again this should run successfully. ```console linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `pipeline.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 +Launching `2b-multistep.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 [d6/cdf466] sayHello (1) | 3 of 3 ✔ [99/79394f] convertToUpper (2) | 3 of 3 ✔ @@ -410,7 +410,7 @@ Let's look at the code and see what we can tie back to what we just observed.
Code -```groovy title="channel.nf" linenums="1" +```groovy title="2a-inputs.nf" linenums="1" #!/usr/bin/env nextflow /* @@ -507,7 +507,7 @@ The really interesting thing to look at here is how the process calls are chaine
Code -```groovy title="channel.nf" linenums="69" +```groovy title="2a-inputs.nf" linenums="69" workflow { // create a channel for inputs from a CSV file @@ -532,7 +532,7 @@ You can see that the first process call, `sayHello(greeting_ch)`, is unchanged. Then the next process call, to `convertToUpper`, _refers_ to the output of `sayHello` as `sayHello.out`. -```groovy title="channel.nf" linenums="79" +```groovy title="2a-inputs.nf" linenums="79" // convert the greeting to uppercase convertToUpper(sayHello.out) ``` @@ -543,7 +543,7 @@ That is, at its simplest, how we shuttle data from one step to the next in Nextf Finally, the third call, `collectGreetings`, is doing the same thing, with a twist: -```groovy title="channel.nf" linenums="82" +```groovy title="2a-inputs.nf" linenums="82" // collect all the greetings into one file collectGreetings(convertToUpper.out.collect()) ``` @@ -599,7 +599,7 @@ To use a module in a workflow, you just add a single-line import statement to yo Putting processes into individual modules makes it possible to reuse process definitions in multiple workflows without producing multiple copies of the code. This makes the code more shareable, flexible and maintainable. -We have of course once again prepared a suitable workflow for demonstration purposes, called `modular.nf`, along with a set of modules located in the `modules/` directory. +We have of course once again prepared a suitable workflow for demonstration purposes, called `2c-modules.nf`, along with a set of modules located in the `modules/` directory. @@ -656,7 +656,7 @@ So let's see what it looks like to run this new version. Run this command in your terminal, with the `-resume` flag: ```bash -nextflow run modular.nf --input greetings.csv -resume +nextflow run 2c-modules.nf --input greetings.csv -resume ``` Once again this should run successfully. @@ -667,7 +667,7 @@ Once again this should run successfully. ```console linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `modular.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 +Launching `2c-modules.nf` [soggy_franklin] DSL2 - revision: bc8e1b2726 [j6/cdfa66] sayHello (1) | 3 of 3, cached: ✔ [95/79484f] convertToUpper (2) | 3 of 3, cached: ✔ @@ -910,7 +910,7 @@ The differences are highlighted in the code snippet below.
Code -```groovy title="container.nf" linenums="1" hl_lines="7 25 26" +```groovy title="2d-container.nf" linenums="1" hl_lines="7 25 26" #!/usr/bin/env nextflow // Include modules @@ -959,8 +959,9 @@ The `cowpy` process, which wraps the cowpy command to generate ASCII art, is def // Generate ASCII art with cowpy process cowpy { - publishDir 'results', mode: 'copy' + container 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' + publishDir 'results', mode: 'copy' input: path input_file @@ -1026,7 +1027,7 @@ That tells Nextflow to use Docker for any process that specifies a compatible co Let's run the workflow with the `-resume` flag, and specify that we want the character to be the turkey. ```bash -nextflow run container.nf --input greetings.csv --character turkey -resume +nextflow run 2d-container.nf --input greetings.csv --character turkey -resume ``` This should work without error. @@ -1037,7 +1038,7 @@ This should work without error. ```console linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `container.nf` [elegant_brattain] DSL2 - revision: 028a841db1 +Launching `2d-container.nf` [elegant_brattain] DSL2 - revision: 028a841db1 executor > local (1) [95/fa0bac] sayHello (3) | 3 of 3, cached: 3 ✔ diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 60a4bb515..9d086adb9 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -3,68 +3,28 @@ This section will explore how to manage the configuration of a Nextflow pipeline in order to customize its behavior, adapt it to different environments, and optimize resource usage _without altering a single line of the workflow code itself_. There are multiple ways to do this; here we are going to use the simplest and most common configuration file mechanism, the `nextflow.config` file. -Whenever there is a file named `nextflow.config` in the current directory, Nextflow will automatically load configuration from it. +As noted previously, whenever there is a file named `nextflow.config` in the current directory, Nextflow will automatically load configuration from it. -TODO: pare down and streamline some more - -!!!note +!!! Tip Anything you put into the `nextflow.config` can be overridden at runtime by providing the relevant process directives or parameters and values on the command line, or by importing another configuration file, according to the order of precedence described [here](https://www.nextflow.io/docs/latest/config.html). In this part of the training, we're going to use the `nextflow.config` file to demonstrate essential components of Nextflow configuration such as process directives, executors, profiles, and parameter files. - By learning to utilize these configuration options effectively, you can enhance the flexibility, scalability, and performance of your pipelines. ---- - -## 0. Warmup: Check that Docker is enabled and run the Hello Config workflow - -First, a quick check. There is a `nextflow.config` file in the current directory that contains the line `docker.enabled = `, where `` is either `true` or `false` depending on whether or not you've worked through Part 5 of this course in the same environment. - -If it is set to `true`, you don't need to do anything. - -If it is set to `false`, switch it to `true` now. - -```console title="nextflow.config" linenums="1" -docker.enabled = true -``` - -Once you've done that, verify that the initial workflow runs properly: - -```bash -nextflow run hello-config.nf -``` - -```console title="Output" - N E X T F L O W ~ version 25.04.3 - -Launching `hello-config.nf` [reverent_heisenberg] DSL2 - revision: 028a841db1 - -executor > local (8) -[7f/0da515] sayHello (1) | 3 of 3 ✔ -[f3/42f5a5] convertToUpper (3) | 3 of 3 ✔ -[04/fe90e4] collectGreetings | 1 of 1 ✔ -[81/4f5fa9] cowpy | 1 of 1 ✔ -There were 3 greetings in this batch -``` - -If everything works, you're ready to learn how to modify basic configuration properties to adapt to your compute environment's requirements. +To exercise these elements of configuration, we're going to be running a fresh copy of the workflow we last ran at the end of Part 2 of this training course, renamed `3-main.nf`. --- ## 1. Determine what software packaging technology to use The first step toward adapting your workflow configuration to your compute environment is specifying where the software packages that will get run in each step are going to be coming from. -Are they already installed in the local compute environment? Do we need to retrieve images and run them via a container system? Or do we need to retrieve Conda packages and build a local Conda environment? +Are they already installed in the local compute environment? +Do we need to retrieve images and run them via a container system? +Or do we need to retrieve Conda packages and build a local Conda environment? -In the very first part of this training course (Parts 1-4) we just used locally installed software in our workflow. -Then in Part 5, we introduced Docker containers and the `nextflow.config` file, which we used to enable the use of Docker containers. - -In the warmup to this section, you checked that Docker was enabled in `nextflow.config` file and ran the workflow, which used a Docker container to execute the `cowpy()` process. - -!!! note - - If that doesn't sound familiar, you should probably go back and work through Part 5 before continuing. +For most of this training course so far, we just used locally installed software in our workflow. +Then in the last section of Part 2, we introduced Docker containers and the `nextflow.config` file, which we used to enable the use of Docker containers. Now let's see how we can configure an alternative software packaging option via the `nextflow.config` file. @@ -72,7 +32,7 @@ Now let's see how we can configure an alternative software packaging option via Let's pretend we're working on an HPC cluster and the admin doesn't allow the use of Docker for security reasons. -Fortunately for us, Nextflow supports multiple other container technologies such as including Singularity (which is more widely used on HPC), and software package managers such as Conda. +Fortunately for us, Nextflow supports multiple other container technologies such as including Singularity/Apptainer (which is more widely used on HPC), and software package managers such as Conda. We can change our configuration file to use Conda instead of Docker. To do so, we switch the value of `docker.enabled` to `false`, and add a directive enabling the use of Conda: @@ -92,13 +52,13 @@ To do so, we switch the value of `docker.enabled` to `false`, and add a directiv ``` This will allow Nextflow to create and utilize Conda environments for processes that have Conda packages specified. -Which means we now need to add one of those to our `cowpy` process! +Which means we now need to add one of those to the `cowpy` process definition! ### 1.2. Specify a Conda package in the process definition We've already retrieved the URI for a Conda package containing the `cowpy` tool: `conda-forge::cowpy==1.1.5` -!!! note +!!! Tip There are a few different ways to get the URI for a given conda package. We recommend using the [Seqera Containers](https://seqera.io/containers/) search query, which will give you a URI that you can copy and paste, even if you're not planning to create a container from it. @@ -133,11 +93,14 @@ To be clear, we're not _replacing_ the `docker` directive, we're _adding_ an alt Let's try it out. ```bash -nextflow run hello-config.nf +nextflow run 3-main.nf --inputs greetings.csv --character turkey ``` This should work without issue. +
+ Command output + ```console title="Output" N E X T F L O W ~ version 25.04.3 @@ -148,7 +111,6 @@ executor > local (8) [20/2596a7] convertToUpper (1) | 3 of 3 ✔ [b3/e15de5] collectGreetings | 1 of 1 ✔ [c5/af5f88] cowpy | 1 of 1 ✔ -There were 3 greetings in this batch ``` Behind the scenes, Nextflow has retrieved the Conda packages and created the environment, which normally takes a bit of work; so it's nice that we don't have to do any of that ourselves! diff --git a/nextflow-run/hello.nf b/nextflow-run/1-hello.nf similarity index 100% rename from nextflow-run/hello.nf rename to nextflow-run/1-hello.nf diff --git a/nextflow-run/channel.nf b/nextflow-run/2a-inputs.nf similarity index 100% rename from nextflow-run/channel.nf rename to nextflow-run/2a-inputs.nf diff --git a/nextflow-run/pipeline.nf b/nextflow-run/2b-multistep.nf similarity index 100% rename from nextflow-run/pipeline.nf rename to nextflow-run/2b-multistep.nf diff --git a/nextflow-run/modular.nf b/nextflow-run/2c-modules.nf similarity index 100% rename from nextflow-run/modular.nf rename to nextflow-run/2c-modules.nf diff --git a/nextflow-run/container.nf b/nextflow-run/2d-container.nf similarity index 100% rename from nextflow-run/container.nf rename to nextflow-run/2d-container.nf diff --git a/nextflow-run/3-main.nf b/nextflow-run/3-main.nf new file mode 100644 index 000000000..e8c6b1caa --- /dev/null +++ b/nextflow-run/3-main.nf @@ -0,0 +1,27 @@ +#!/usr/bin/env nextflow + +// Include modules +include { sayHello } from './modules/sayHello.nf' +include { convertToUpper } from './modules/convertToUpper.nf' +include { collectGreetings } from './modules/collectGreetings.nf' +include { cowpy } from './modules/cowpy.nf' + +workflow { + + // create a channel for inputs from a CSV file + greeting_ch = Channel.fromPath(params.input) + .splitCsv() + .map { line -> line[0] } + + // emit a greeting + sayHello(greeting_ch) + + // convert the greeting to uppercase + convertToUpper(sayHello.out) + + // collect all the greetings into one file + collectGreetings(convertToUpper.out.collect()) + + // generate ASCII art with cowpy + cowpy(collectGreetings.out, params.character) +} diff --git a/nextflow-run/modules/cowpy.nf b/nextflow-run/modules/cowpy.nf index 6b213d673..05ff5ec57 100644 --- a/nextflow-run/modules/cowpy.nf +++ b/nextflow-run/modules/cowpy.nf @@ -3,9 +3,10 @@ // Generate ASCII art with cowpy process cowpy { - publishDir 'results', mode: 'copy' container 'community.wave.seqera.io/library/cowpy:1.1.5--3db457ae1977a273' + publishDir 'results', mode: 'copy' + input: path input_file val character From 39a172fab317304f0444ed3d8c077ab22a05eeaa Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 05:11:22 -0400 Subject: [PATCH 22/49] Cleaned up and reordered Config (order was messed up..?) --- docs/nextflow_run/03_config.md | 438 ++++++++++++++++++++++----------- nextflow-run/test-params.json | 4 + 2 files changed, 298 insertions(+), 144 deletions(-) create mode 100644 nextflow-run/test-params.json diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 9d086adb9..c2f25338a 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -96,7 +96,7 @@ Let's try it out. nextflow run 3-main.nf --inputs greetings.csv --character turkey ``` -This should work without issue. +This should work without error.
Command output @@ -104,7 +104,7 @@ This should work without issue. ```console title="Output" N E X T F L O W ~ version 25.04.3 -Launching `hello-config.nf` [trusting_lovelace] DSL2 - revision: 028a841db1 +Launching `3-main.nf` [trusting_lovelace] DSL2 - revision: 028a841db1 executor > local (8) [ee/4ca1f2] sayHello (3) | 3 of 3 ✔ @@ -113,9 +113,11 @@ executor > local (8) [c5/af5f88] cowpy | 1 of 1 ✔ ``` +
+ Behind the scenes, Nextflow has retrieved the Conda packages and created the environment, which normally takes a bit of work; so it's nice that we don't have to do any of that ourselves! -!!! note +!!! Tip This runs quickly because the `cowpy` package is quite small, but if you're working with large packages, it may take a bit longer than usual the first time, and you might see the console output stay 'stuck' for a minute or so before completing. This is normal and is due to the extra work Nextflow does the first time you use a new package. @@ -124,7 +126,7 @@ From our standpoint, it looks like it works exactly the same as running with Doc This means we're all set to run with Conda environments if needed. -!!!note +!!! Tip Since these directives are assigned per process, it is possible 'mix and match', _i.e._ configure some of the processes in your workflow to run with Docker and others with Conda, for example, if the compute infrastructure you are using supports both. In that case, you would enable both Docker and Conda in your configuration file. @@ -138,13 +140,114 @@ You know how to configure which software package each process should use, and ho ### What's next? -Learn how to change the executor used by Nextflow to actually do the work. +Learn how to specify what executor Nextflow should use to actually do the work. + +--- + +## 2. Specify what executor should be used to do the work + +Until now, we have been running our pipeline with the local executor. +This executes each task on the machine that Nextflow is running on. +When Nextflow begins, it looks at the available CPUs and memory. +If the resources of the tasks ready to run exceed the available resources, Nextflow will hold the last tasks back from execution until one or more of the earlier tasks have finished, freeing up the necessary resources. + +For very large workloads, you may discover that your local machine is a bottleneck, either because you have a single task that requires more resources than you have available, or because you have so many tasks that waiting for a single machine to run them would take too long. +The local executor is convenient and efficient, but is limited to that single machine. +Nextflow supports [many different execution backends](https://www.nextflow.io/docs/latest/executor.html), including HPC schedulers (Slurm, LSF, SGE, PBS, Moab, OAR, Bridge, HTCondor and others) as well as cloud execution backends such (AWS Batch, Google Cloud Batch, Azure Batch, Kubernetes and more). + +### 2.1. Targeting a different backend + +The choice of executor is set by a process directive called `executor`. +By default it is set to `local`, so the following configuration is implied: + +```groovy title="Built-in configuration" +process { + executor = 'local' +} +``` + +To set the executor to target a different backend, simply specify the executor you want using similar syntax as described above for resource allocations. + + + +```groovy title="nextflow.config" +process { + executor = 'slurm' +} +``` + +!!! Warning + + We can't actually test this in the training environment because it's not set up to connect to an HPC. + +### 2.2. Dealing with backend-specific syntax for execution parameters + +Most high-performance computing platforms allow (and sometimes require) that you specify certain parameters such as resource allocation requests and limitations (for e.g. number of CPUs and memory) and name of the job queue to use. + +Unfortunately, each of these systems uses different technologies, syntaxes and configurations for defining how a job should be defined and submitted to the relevant scheduler. + +For example, a job requiring 8 CPUs and 4GB of RAM to be executed on the queue "my-science-work" needs to be expressed in the following ways depending on the backend: + +
+ Config for SLURM / submit using `sbatch` + +```bash +#SBATCH -o /path/to/my/task/directory/my-task-1.log +#SBATCH --no-requeue +#SBATCH -c 8 +#SBATCH --mem 4096M +#SBATCH -p my-science-work +``` + +
+ +
+ Config for PBS / submit using `qsub` + +```bash +#PBS -o /path/to/my/task/directory/my-task-1.log +#PBS -j oe +#PBS -q my-science-work +#PBS -l nodes=1:ppn=5 +#PBS -l mem=4gb +``` + +
+ +
+ Config for SGE / submit using `qsub` + +```bash +#$ -o /path/to/my/task/directory/my-task-1.log +#$ -j y +#$ -terse +#$ -notify +#$ -q my-science-work +#$ -l slots=5 +#$ -l h_rss=4096M,mem_free=4096M +``` + +
+ +Fortunately, Nextflow simplifies all of this. +It provides a standardized syntax so that you can specify the relevant properties such as `cpus`, `memory` and `queue` (see documentation for other properties) just once. +Then, at runtime, Nextflow will use those settings to generate the appropriate backend-specific scripts based on the executor setting. + +We'll cover that standardized syntax in the next section. + +### Takeaway + +You now know how to change the executor to use different kinds of computing infrastructure. + +### What's next? + +Learn how to evaluate and express resource allocations and limitations in Nextflow. --- -## 2. Allocate compute resources with process directives +## 3. Allocate compute resources with process directives -Most high-performance computing platforms allow (and sometimes require) that you specify certain resource allocation parameters such as number of CPUs and memory. +As noted above, high-performance computing system generally allow or require you to specify request allocations and set limitations for compute resources such as the number of CPUs and memory to use. By default, Nextflow will use a single CPU and 2GB of memory for each process. The corresponding process directives are called `cpus` and `memory`, so the following configuration is implied: @@ -161,7 +264,7 @@ Nextflow will translate them into the appropriate instructions for the chosen ex But how do you know what values to use? -### 2.1. Run the workflow to generate a resource utilization report +### 3.1. Run the workflow to generate a resource utilization report If you don't know up front how much CPU and memory your processes are likely to need, you can do some resource profiling, meaning you run the workflow with some default allocations, record how much each process used, and from there, estimate how to adjust the base allocations. @@ -170,18 +273,18 @@ Conveniently, Nextflow includes built-in tools for doing this, and will happily To do so, add `-with-report .html` to your command line. ```bash -nextflow run hello-config.nf -with-report report-config-1.html +nextflow run 3-main.nf -with-report report-config-1.html ``` The report is an html file, which you can download and open in your browser. You can also right click it in the file explorer on the left and click on `Show preview` in order to view it in the training environment. + + Take a few minutes to look through the report and see if you can identify some opportunities for adjusting resources. Make sure to click on the tabs that show the utilization results as a percentage of what was allocated. There is some [documentation](https://www.nextflow.io/docs/latest/reports.html) describing all the available features. - - -### 2.2. Set resource allocations for all processes +### 3.2. Set resource allocations for all processes The profiling shows that the processes in our training workflow are very lightweight, so let's reduce the default memory allocation to 1GB per process. @@ -193,7 +296,7 @@ process { } ``` -### 2.3. Set resource allocations for an individual process +### 3.3. Set resource allocations for an individual process At the same time, we're going to pretend that the `cowpy` process requires more resources than the others, just so we can demonstrate how to adjust allocations for an individual process. @@ -219,32 +322,23 @@ At the same time, we're going to pretend that the `cowpy` process requires more With this configuration, all processes will request 1GB of memory and a single CPU (the implied default), except the `cowpy` process, which will request 2GB and 2 CPUs. -!!! note +!!! Tip If you have a machine with few CPUs and you allocate a high number per process, you might see process calls getting queued behind each other. This is because Nextflow ensures we don't request more CPUs than are available. -### 2.4. Run the workflow with the modified configuration - -Let's try that out, supplying a different filename for the profiling report so we can compare performance before and after the configuration changes. - -```bash -nextflow run hello-config.nf -with-report report-config-2.html -``` - -You will probably not notice any real difference since this is such a small workload, but this is the approach you would use to analyze the performance and resource requirements of a real-world workflow. +You could then run the workflow again, supplying a different filename for the profiling report, and compare performance before and after the configuration changes. +You may not notice any real difference since this is such a small workload, but this is the approach you would use to analyze the performance and resource requirements of a real-world workflow. It is very useful when your processes have different resource requirements. It empowers you to right-size the resource allocations you set up for each process based on actual data, not guesswork. -!!!note +!!! Tip This is just a tiny taster of what you can do to optimize your use of resources. Nextflow itself has some really neat [dynamic retry logic](https://training.nextflow.io/basic_training/debugging/#dynamic-resources-allocation) built in to retry jobs that fail due to resource limitations. - Additionally, the Seqera Platform offers AI-driven tooling for optimizing your resource allocations automatically as well. + Additionally, the Seqera Platform offers AI-driven tooling for optimizing your resource allocations automatically. - We'll cover both of those approaches in an upcoming part of this training course. - -### 2.5. Add resource limits +### 3.4. Add resource limits Depending on what computing executor and compute infrastructure you're using, there may be some constraints on what you can (or must) allocate. For example, your cluster may require you to stay within certain limits. @@ -263,10 +357,10 @@ process { Nextflow will translate these values into the appropriate instructions depending on the executor that you specified. -We're not going to run this, since we don't have access to relevant infrastructure in the training environment. -However, if you were to try running the workflow with resource allocations that exceed these limits, then look up the `sbatch` command in the `.command.run` script file, you would see that the requests that actually get sent to the executor are capped at the values specified by `resourceLimits`. +As previously, we can't demonstrate this in action since we don't have access to relevant infrastructure in the training environment. +However, if you were to set the executor to `slurm`, try running the workflow with resource allocations that exceed these limits, then look up the `sbatch` command in the `.command.run` script file (which will be generated even though the run is doomed to fail), you would see that the requests that would get sent to the executor are capped at the values specified by `resourceLimits`. -!!!note +!!! Tip The nf-core project has compiled a [collection of configuration files](https://nf-co.re/configs/) shared by various institutions around the world, covering a wide range of HPC and cloud executors. @@ -278,145 +372,119 @@ You know how to generate a profiling report to assess resource utilization and h ### What's next? -Learn to use a parameter file to store workflow parameters. +Learn how to manage workflow parameters. --- -## 3. Use a parameter file to store workflow parameters +## 4. Managing workflow parameters So far we've been looking at configuration from the technical point of view of the compute infrastructure. Now let's consider another aspect of workflow configuration that is very important for reproducibility: the configuration of the workflow parameters. -Currently, our workflow is set up to accept several parameter values via the command-line, with default values set in the workflow script itself. +Currently, our workflow is set up to accept a couple of parameter values via the command-line. This is fine for a simple workflow with very few parameters that need to be set for a given run. However, many real-world workflows will have many more parameters that may be run-specific, and putting all of them in the command line would be tedious and error-prone. +### 4.1. Specifying default values directly in the workflow + +It is possible to specify default values in the workflow script itself, for example you may see something like this in the main body of the workflow: + + + +```groovy title="Syntax example" +/* + * Pipeline parameters + */ +params.greeting = 'greetings.csv' +params.character = 'turkey' +``` + +If you were to add this to the `3-main.nf` workflow, you could leave out those parameters from your command-line and Nextflow would use those default values. +You could then override those values by specifying the parameters in the command-line. + +### 4.2. Using a parameter file + Nextflow allows us to specify parameters via a parameter file in JSON format, which makes it very convenient to manage and distribute alternative sets of default values, for example, as well as run-specific parameter values. -We provide an example parameter file in the current directory, called `test-params.json`: +We provide an example parameter file in the current directory, called `test-params.json`, which contains a key-value pair for each of the inputs our workflow expects. + +
+ File contents ```json title="test-params.json" linenums="1" { "greeting": "greetings.csv", - "batch": "Trio", - "character": "turkey" + "character": "stegosaurus" } ``` -This parameter file contains a key-value pair for each of the inputs our workflow expects. - -### 3.1. Run the workflow using a parameter file +
To run the workflow with this parameter file, simply add `-params-file ` to the base command. ```bash -nextflow run hello-config.nf -params-file test-params.json +nextflow run 3-main.nf -params-file test-params.json ``` -It works! And as expected, this produces the same outputs as previously. +This should run without error. + +
+ Command output ```console title="Output" N E X T F L O W ~ version 25.04.3 -Launching `hello-config.nf` [disturbed_sammet] DSL2 - revision: ede9037d02 +Launching `3-main.nf` [disturbed_sammet] DSL2 - revision: ede9037d02 executor > local (8) [f0/35723c] sayHello (2) | 3 of 3 ✔ [40/3efd1a] convertToUpper (3) | 3 of 3 ✔ [17/e97d32] collectGreetings | 1 of 1 ✔ [98/c6b57b] cowpy | 1 of 1 ✔ -There were 3 greetings in this batch -``` - -This may seem like overkill when you only have a few parameters to specify, but some pipelines expect dozens of parameters. -In those cases, using a parameter file will allow us to provide parameter values at runtime without having to type massive command lines and without modifying the workflow script. - -### Takeaway - -You know how to manage parameter defaults and override them at runtime using a parameter file. - -### What's next? - -Learn how to use profiles to conveniently switch between alternative configurations. - ---- - -## 4. Determine what executor(s) should be used to do the work - -Until now, we have been running our pipeline with the local executor. -This executes each task on the machine that Nextflow is running on. -When Nextflow begins, it looks at the available CPUs and memory. -If the resources of the tasks ready to run exceed the available resources, Nextflow will hold the last tasks back from execution until one or more of the earlier tasks have finished, freeing up the necessary resources. - -For very large workloads, you may discover that your local machine is a bottleneck, either because you have a single task that requires more resources than you have available, or because you have so many tasks that waiting for a single machine to run them would take too long. -The local executor is convenient and efficient, but is limited to that single machine. -Nextflow supports [many different execution backends](https://www.nextflow.io/docs/latest/executor.html), including HPC schedulers (Slurm, LSF, SGE, PBS, Moab, OAR, Bridge, HTCondor and others) as well as cloud execution backends such (AWS Batch, Google Cloud Batch, Azure Batch, Kubernetes and more). - -Each of these systems uses different technologies, syntaxes and configurations for defining how a job should be defined. For example, /if we didn't have Nextflow/, a job requiring 8 CPUs and 4GB of RAM to be executed on the queue "my-science-work" would need to include the following configuration on SLURM and submit the job using `sbatch`: - -```bash -#SBATCH -o /path/to/my/task/directory/my-task-1.log -#SBATCH --no-requeue -#SBATCH -c 8 -#SBATCH --mem 4096M -#SBATCH -p my-science-work -``` - -If I wanted to make the workflow available to a colleague running on PBS, I'd need to remember to use a different submission program `qsub` and I'd need to change my scripts to use a new syntax for resources: - -```bash -#PBS -o /path/to/my/task/directory/my-task-1.log -#PBS -j oe -#PBS -q my-science-work -#PBS -l nodes=1:ppn=5 -#PBS -l mem=4gb -``` - -If I wanted to use SGE, the configuration would be slightly different again: - -```bash -#$ -o /path/to/my/task/directory/my-task-1.log -#$ -j y -#$ -terse -#$ -notify -#$ -q my-science-work -#$ -l slots=5 -#$ -l h_rss=4096M,mem_free=4096M -``` - -Running on a single cloud execution engine would require a new approach again, likely using an SDK that uses the cloud platform's APIs. - -Nextflow makes it easy to write a single workflow that can be run on each of these different infrastructures and systems, without having to modify the workflow. -The executor is subject to a process directive called `executor`. -By default it is set to `local`, so the following configuration is implied: - -```groovy title="Built-in configuration" -process { - executor = 'local' -} ``` -### 4.1. Targeting a different backend +
-By default, this training environment does not include a running HPC schedulder, but if you were running on a system with SLURM installed, for example, you can have Nextflow convert the `cpus`, `memory`, `queue` and other process directives into the correct syntax at runtime by adding following lines to the `nextflow.config` file: +The final output file should contain the appropriate character saying the greetings. -```groovy title="nextflow.config" -process { - executor = 'slurm' -} +
+ File contents + +```console title="results/cowpy-COLLECTED-output.txt" +_________ +/ HELLO \ +| HOLà | +\ BONJOUR / + --------- +\ . . + \ / `. .' " + \ .---. < > < > .---. + \ | \ \ - ~ ~ - / / | + _____ ..-~ ~-..-~ + | | \~~~\.' `./~~~/ + --------- \__/ \__/ + .' O \ / / \ " + (_____, `._.' | } \/~~~/ + `----. / } | / \__/ + `-. | / | / `. ,~~| + ~-.__| /_ - ~ ^| /- _ `..-' + | / | / ~-. `-. _ _ _ + |_____| |_____| ~ - . _ _ _ _ _> ``` -And... that's it! As noted before, this does assume that Slurm itself is already set up for you, but this is really all Nextflow itself needs to know. +
-Basically we are telling Nextflow to generate a Slurm submission script and submit it using an `sbatch` command. +Using a parameter file may seem like overkill when you only have a few parameters to specify, but some pipelines expect dozens of parameters. +In those cases, using a parameter file will allow us to provide parameter values at runtime without having to type massive command lines and without modifying the workflow script. +It also makes it easier to distribute sets of parameters to collaborators. ### Takeaway -You now know how to change the executor to use different kinds of computing infrastructure. +You know how to manage parameter defaults and override them at runtime using command-line arguments or a parameter file. ### What's next? -Learn how to control the resources allocated for executing processes. +Learn how to bring it all together by using profiles to switch between alternative configurations more conveniently. --- @@ -424,6 +492,8 @@ Learn how to control the resources allocated for executing processes. You may want to switch between alternative settings depending on what computing infrastructure you're using. For example, you might want to develop and run small-scale tests locally on your laptop, then run full-scale workloads on HPC or cloud. +This applies to workflow parameters too: you may have different sets of reference files or groups of settings that you want to swap out depending on the data you're analyzing (e.g. mouse vs human data etc). + Nextflow lets you set up profiles that describe different configurations, which you can then select at runtime using a command-line argument, rather than having to modify the configuration file itself. ### 5.1. Create profiles for switching between local development and execution on HPC @@ -459,27 +529,31 @@ To specify a profile in our Nextflow command line, we use the `-profile` argumen Let's try running the workflow with the `my_laptop` configuration. ```bash -nextflow run hello-config.nf -profile my_laptop +nextflow run 3-main.nf --input greetings.csv --character turkey -profile my_laptop ``` -This still produces the following output: +This should run without error and produce the same results as previously. -``` +
+ Command output + +```console N E X T F L O W ~ version 25.04.3 -Launching `hello-config.nf` [gigantic_brazil] DSL2 - revision: ede9037d02 +Launching `3-main.nf` [gigantic_brazil] DSL2 - revision: ede9037d02 executor > local (8) [58/da9437] sayHello (3) | 3 of 3 ✔ [35/9cbe77] convertToUpper (2) | 3 of 3 ✔ [67/857d05] collectGreetings | 1 of 1 ✔ [37/7b51b5] cowpy | 1 of 1 ✔ -There were 3 greetings in this batch ``` +
+ As you can see, this allows us to toggle between configurations very conveniently at runtime. -!!! warning +!!! Warning The `univ_hpc` profile will not run properly in the training environment since we do not have access to a Slurm scheduler. @@ -488,9 +562,10 @@ We can also create additional profiles if there are other elements of configurat ### 5.3. Create a test profile -Profiles are not only for infrastructure configuration. -We can also use them to set default values for workflow parameters, to make it easier for others to try out the workflow without having to gather appropriate input values themselves. -This is intended as an alternative to using a parameter file. +As noted above, profiles are not only for infrastructure configuration. +We can also use them to swap out sets of default values for workflow parameters, or to make it easier for ourselves and for others to try out the workflow without having to gather appropriate input values themselves. + +Let's take the example of creating a test profile to make it easy to test the workflow with minimal effort. The syntax for expressing default values is the same as when writing them into the workflow file itself, except we wrap them in a block named `test`: @@ -521,57 +596,132 @@ profiles { } test { params.greeting = 'greetings.csv' - params.batch = 'test-batch' params.character = 'turkey' } } ``` -Just like for technical configuration profiles, you can set up multiple different profiles specifying parameters under any arbitrary name you like. +Just like for technical configuration profiles, you can set up multiple different profiles specifying workflow parameters under any arbitrary name you like. ### 5.4. Run the workflow locally with the test profile Conveniently, profiles are not mutually exclusive, so we can specify multiple profiles in our command line using the following syntax `-profile ,` (for any number of profiles). -!!! note +!!! Tip If you combine profiles that set values for the same elements of configuration and are described in the same configuration file, Nextflow will resolve the conflict by using whichever value it read in last (_i.e._ whatever comes later in the file). - If the conflicting settings are set in different configuration sources, the default [order of precedence](https://www.nextflow.io/docs/latest/config.html) applies. Let's try adding the test profile to our previous command: ```bash -nextflow run hello-config.nf -profile my_laptop,test +nextflow run 3-main.nf -profile my_laptop,test ``` -This should produce the following: +This should run without error. -```console title="Output" +
+ Command output + +```console N E X T F L O W ~ version 25.04.3 -Launching `hello-config.nf` [gigantic_brazil] DSL2 - revision: ede9037d02 +Launching `3-main.nf` [gigantic_brazil] DSL2 - revision: ede9037d02 executor > local (8) [58/da9437] sayHello (3) | 3 of 3 ✔ [35/9cbe77] convertToUpper (2) | 3 of 3 ✔ [67/857d05] collectGreetings | 1 of 1 ✔ [37/7b51b5] cowpy | 1 of 1 ✔ -There were 3 greetings in this batch ``` +
+ This means that as long as we distribute any test data files with the workflow code, anyone can quickly try out the workflow without having to supply their own inputs via the command line or a parameter file. -!!! note +!!! Tip - We can even point to URLs for larger files that are stored externally. + You can even point to URLs for larger files that are stored externally. Nextflow will download them automatically as long as there is an open connection. +### 5.5. Use `nextflow config` to see the resolved configuration + +As noted above, sometimes the same parameter can be set to different values in profiles that you want to combine. +And more generally, there are numerous places where elements of configuration can be stored, and sometimes the same properties can be set to different values in different places. + +Nextflow applies a set [order of precedence](https://www.nextflow.io/docs/latest/config.html) to resolve any conflicts, but that can be tricky to determine yourself. +And even if nothing is conflicting, it can be tedious to look up all the possible places where things could be configured. + +Fortunately, Nextflow includes a convenient utility tool called `config` that can automate that whole process for you. + +The `config` tool will explore all the contents in your current working directory, hoover up any configuration files, and produce the fully resolved configuration that Nextflow would use to run the workflow. +This allows you to find out what settings will be used without having to launch anything. + +#### 5.5.1. Resolve the default configuration + +Run this command to resolve the configuration given only parameters applied by default. + +```bash +nextflow config +``` + +
+ Command output + +```groovy +process { + memory = '1 GB' + withName:cowpy { + memory = '2 GB' + cpus = 2 + } +} +``` + +
+ +#### 5.5.1. Resolve the configuration with specific settings activated + +If you provide command-line parameters, e.g. enabling one or more profiles or loading a parameter file, the command will additionally take those into account. + +```bash +nextflow config -profile my_laptop,test +``` + +
+ Command output + +```groovy +process { + memory = '1 GB' + withName:cowpy { + memory = '2 GB' + cpus = 2 + } + executor = 'local' +} + +docker { + enabled = true +} + +params { + greeting = 'greetings.csv' + character = 'turkey' +} +``` + +
+ +This gets especially useful for complex projects that involve multiple layers of configuration. + ### Takeaway -You know how to use profiles to select a preset configuration at runtime with minimal hassle. More generally, you know how to configure your workflow executions to suit different compute platforms and enhance the reproducibility of your analyses. +You know how to use profiles to select a preset configuration at runtime with minimal hassle. +More generally, you know how to configure your workflow executions to suit different compute platforms and enhance the reproducibility of your analyses. ### What's next? -TODO: update next steps +Give yourself a big pat on the back! +You know everything you need to know to get started running and managing Nextflow pipelines. diff --git a/nextflow-run/test-params.json b/nextflow-run/test-params.json new file mode 100644 index 000000000..f677b3904 --- /dev/null +++ b/nextflow-run/test-params.json @@ -0,0 +1,4 @@ +{ + "greet": "greetings.csv", + "character": "stegosaurus" +} From 6f5a42470229e82073b1b5aa77f694276ec3bbdd Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 05:12:42 -0400 Subject: [PATCH 23/49] fix headings --- docs/nextflow_run/03_config.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index c2f25338a..9d1027bfc 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -681,7 +681,7 @@ process {
-#### 5.5.1. Resolve the configuration with specific settings activated +#### 5.5.2. Resolve the configuration with specific settings activated If you provide command-line parameters, e.g. enabling one or more profiles or loading a parameter file, the command will additionally take those into account. From f7f2a4b4df610dcc8f6ec0b73ad808f88827b90e Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 05:22:53 -0400 Subject: [PATCH 24/49] Tweak index --- docs/nextflow_run/00_orientation.md | 2 +- docs/nextflow_run/index.md | 11 +++++------ 2 files changed, 6 insertions(+), 7 deletions(-) diff --git a/docs/nextflow_run/00_orientation.md b/docs/nextflow_run/00_orientation.md index a5aef8fd4..767f7610b 100644 --- a/docs/nextflow_run/00_orientation.md +++ b/docs/nextflow_run/00_orientation.md @@ -26,7 +26,7 @@ If you run this inside `nextflow-run`, you should see the following output: [TOD . ``` -!!!note +!!! Tip Don't worry if this seems like a lot; we'll go through the relevant pieces at each step of the course. This is just meant to give you an overview. diff --git a/docs/nextflow_run/index.md b/docs/nextflow_run/index.md index ea21cb1ae..633639c3d 100644 --- a/docs/nextflow_run/index.md +++ b/docs/nextflow_run/index.md @@ -8,11 +8,9 @@ hide: Hello! You are now on the path to running reproducible and scalable scientific workflows using Nextflow. -TODO: Improve overview to differentiate from Hello Nextflow - The rise of big data has made it increasingly necessary to be able to analyze and perform experiments on large datasets in a portable and reproducible manner. Parallelization and distributed computing are the best ways to tackle this challenge, but the tools commonly available to computational scientists often lack good support for these techniques, or they provide a model that fits poorly with the needs of computational scientists. Nextflow was particularly created to address these challenges. -During this training, you will be introduced to Nextflow in a series of complementary hands-on workshops. +During this training, you will be introduced to Nextflow in a series of complementary hands-on tutorials. Let's get started! @@ -20,14 +18,15 @@ Let's get started! ## Learning objectives -In this workshop, you will learn foundational concepts for building pipelines. +In this workshop, you will learn foundational concepts and skills for configuring and running Nextflow pipelines without treating them like a black box. By the end of this workshop you will be able to: - Launch a Nextflow workflow locally - Find and interpret outputs (results) and log files generated by Nextflow - Troubleshoot basic issues -- TODO: update summary of learnings once content is final +- Identify the main components of a Nextflow workflow and explain at a general level how they relate to what the workflow does +- Configure and manage the execution of Nextflow workflows ## Audience & prerequisites @@ -36,4 +35,4 @@ This is a workshop for those who are completely new to Nextflow. Some basic fami **Prerequisites** - A GitHub account -- Experience with command line +- Basic familiarity with command line From 2dc7cee35abb66eb1ba60aa4fd5eaa23d4dbc2e5 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 5 Jul 2025 05:29:55 -0400 Subject: [PATCH 25/49] minor tweaks --- docs/nextflow_run/03_config.md | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 9d1027bfc..7bb4839b7 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -385,7 +385,7 @@ Currently, our workflow is set up to accept a couple of parameter values via the This is fine for a simple workflow with very few parameters that need to be set for a given run. However, many real-world workflows will have many more parameters that may be run-specific, and putting all of them in the command line would be tedious and error-prone. -### 4.1. Specifying default values directly in the workflow +### 4.1. Specifying default values directly in the workflow or the `nextflow.config` file It is possible to specify default values in the workflow script itself, for example you may see something like this in the main body of the workflow: @@ -399,7 +399,9 @@ params.greeting = 'greetings.csv' params.character = 'turkey' ``` -If you were to add this to the `3-main.nf` workflow, you could leave out those parameters from your command-line and Nextflow would use those default values. +The same syntax can also be used to store parameter defaults in the `nextflow.config` file. + +If you were to add this to either, you could leave out those parameters from your command-line and Nextflow would use those default values. You could then override those values by specifying the parameters in the command-line. ### 4.2. Using a parameter file @@ -481,6 +483,7 @@ It also makes it easier to distribute sets of parameters to collaborators. ### Takeaway You know how to manage parameter defaults and override them at runtime using command-line arguments or a parameter file. +There are a few more options but these are the ones you are most likely to encounter. ### What's next? From a63bd7a5e4d6ffaff14967cc54dcdafdc0b0a0d7 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Mon, 7 Jul 2025 18:04:01 -0400 Subject: [PATCH 26/49] Update orientation with final contents --- docs/nextflow_run/00_orientation.md | 70 +++++++++++++++++++++-------- nextflow-run/greetings.csv | 3 ++ 2 files changed, 55 insertions(+), 18 deletions(-) create mode 100644 nextflow-run/greetings.csv diff --git a/docs/nextflow_run/00_orientation.md b/docs/nextflow_run/00_orientation.md index 767f7610b..e0088a0e5 100644 --- a/docs/nextflow_run/00_orientation.md +++ b/docs/nextflow_run/00_orientation.md @@ -1,17 +1,42 @@ # Orientation +This orientation assumes you have already opened the training environment by clicking on the "Open in Github Codespaces" button. +If not, please do so now, ideally in a second browser window or tab so you can refer back to these instructions. + +[![Open in GitHub Codespaces](https://github.com/codespaces/badge.svg)](https://codespaces.new/nextflow-io/training?quickstart=1&ref=master) + +## GitHub Codespaces + The GitHub Codespaces environment contains all the software, code and data necessary to work through this training course, so you don't need to install anything yourself. -However, you do need a (free) account to log in, and you should take a few minutes to familiarize yourself with the interface. +However, you do need a (free) GitHub account to log in, and you should take a few minutes to familiarize yourself with the interface. -If you have not yet done so, please follow [this link](../../envsetup/) before going any further. +If you have not yet done so, please go through the [Environment Setup](../../envsetup/) mini-course before going any further. -## Materials provided +## Working directory Throughout this training course, we'll be working in the `nextflow-run/` directory. -This directory contains all the code files, test data and accessory files you will need. -Feel free to explore the contents of this directory; the easiest way to do so is to use the file explorer on the left-hand side of the GitHub Codespaces workspace. +Change directory now by running this command in the terminal: + +```bash +cd nextflow-run/ +``` + +!!!tip + + If for whatever reason you move out of this directory, you can always use the full path to return to it, assuming you're running this within the Github Codespaces training environment: + + ```bash + cd /workspaces/training/nextflow-run + ``` + +Now let's have a look at the contents of this directory. + +## Materials provided + +You can explore the contents of this directory by using the file explorer on the left-hand side of the training workspace. Alternatively, you can use the `tree` command. + Throughout the course, we use the output of `tree` to represent directory structure and contents in a readable form, sometimes with minor modifications for clarity. Here we generate a table of contents to the second level down: @@ -20,27 +45,36 @@ Here we generate a table of contents to the second level down: tree . -L 2 ``` -If you run this inside `nextflow-run`, you should see the following output: [TODO] +If you run this inside `nextflow-run`, you should see the following output: ```console title="Directory contents" . +├── 1-hello.nf +├── 2a-inputs.nf +├── 2b-multistep.nf +├── 2c-modules.nf +├── 2d-container.nf +├── 3-main.nf +├── modules +│ ├── collectGreetings.nf +│ ├── convertToUpper.nf +│ ├── cowpy.nf +│ └── sayHello.nf +├── nextflow.config +└── test-params.json + +1 directory, 12 files ``` -!!! Tip - - Don't worry if this seems like a lot; we'll go through the relevant pieces at each step of the course. - This is just meant to give you an overview. - **Here's a summary of what you should know to get started:** -TODO: update when content is final +- **The `.nf` files** are workflow scripts that are numbered based on what part of the course they're used in. -!!!tip +- **The file `nextflow.config`** is a configuration file that sets minimal environment properties. + You can ignore it for now. - If for whatever reason you move out of this directory, you can always run this command to return to it: +- **The file `greetings.csv`** contains input data we'll use in most of the course. It is described in Part 2, when we introduce it for the first time. - ```bash - cd /workspaces/training/nextflow-run - ``` +- **The file `test-params.json`** is a file we'll use in Part 3. You can ignore it for now. -Now, to begin the course, click on the arrow in the bottom right corner of this page. +**Now, to begin the course, click on the arrow in the bottom right corner of this page.** diff --git a/nextflow-run/greetings.csv b/nextflow-run/greetings.csv new file mode 100644 index 000000000..8f156a346 --- /dev/null +++ b/nextflow-run/greetings.csv @@ -0,0 +1,3 @@ +Hello,English,123 +Bonjour,French,456 +Holà,Spanish,789 From f69118935c3f45c91729f9046de381c05c69b0a8 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Mon, 7 Jul 2025 18:11:48 -0400 Subject: [PATCH 27/49] fix for bad closing tag --- docs/nextflow_run/01_basics.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index 7a7a32280..d1c553183 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -332,7 +332,7 @@ process sayHello { } ``` - +
This is a very minimal process definition that just contains an `input` definition, an `output` definition and the `script` to execute. From 6d1299cfe78edb6e8b5a15d013c2bc3b578d9952 Mon Sep 17 00:00:00 2001 From: Marcel Ribeiro-Dantas Date: Wed, 16 Jul 2025 01:16:23 -0300 Subject: [PATCH 28/49] Minor fixes to Part I --- docs/nextflow_run/00_orientation.md | 4 ++-- docs/nextflow_run/01_basics.md | 14 +++++++------- 2 files changed, 9 insertions(+), 9 deletions(-) diff --git a/docs/nextflow_run/00_orientation.md b/docs/nextflow_run/00_orientation.md index e0088a0e5..50b74ebda 100644 --- a/docs/nextflow_run/00_orientation.md +++ b/docs/nextflow_run/00_orientation.md @@ -1,6 +1,6 @@ # Orientation -This orientation assumes you have already opened the training environment by clicking on the "Open in Github Codespaces" button. +This orientation assumes you have already opened the training environment by clicking on the "Open in GitHub Codespaces" button. If not, please do so now, ideally in a second browser window or tab so you can refer back to these instructions. [![Open in GitHub Codespaces](https://github.com/codespaces/badge.svg)](https://codespaces.new/nextflow-io/training?quickstart=1&ref=master) @@ -24,7 +24,7 @@ cd nextflow-run/ !!!tip - If for whatever reason you move out of this directory, you can always use the full path to return to it, assuming you're running this within the Github Codespaces training environment: + If for whatever reason you move out of this directory, you can always use the full path to return to it, assuming you're running this within the GitHub Codespaces training environment: ```bash cd /workspaces/training/nextflow-run diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index d1c553183..d174c03bb 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -207,7 +207,7 @@ So what about all those other files? These are the helper and log files that Nextflow wrote as part of the task execution: -- **`.command.begin`**: Metadata related to the beginning of the execution of the process call +- **`.command.begin`**: Sentinel file created as soon as the task is launched. - **`.command.err`**: Error messages (`stderr`) emitted by the process call - **`.command.log`**: Complete log output emitted by the process call - **`.command.out`**: Regular output (`stdout`) by the process call @@ -348,12 +348,12 @@ The `output` definition includes the `path` qualifier, which tells Nextflow this This is necessary for verifying that the command was executed successfully and for passing the output to downstream processes if needed. Output produced that doesn't match what is declared in the output block will not be passed to downstream processes. -In a real-world pipeline, a process usually contains additional blocks such as directives and inputs, which we'll introduce in a little bit. +In a real-world pipeline, a process usually contains additional information uch as process directives, which we'll introduce in a little bit. ### 2.3. The `workflow` definition The second block of code describes the **workflow** itself. -The workflow definition starts with the keyword `workflow`, followed by an optional name, then the workflow body delimited by curly braces. +The workflow definition starts with the keyword `workflow`, followed by an optional name, then the workflow body delimited by curly braces. You can tell Nextflow to use a specific workflow by providing the argument `-entry workflow_name`. All pipelines must have a nameless workflow, also known as the default entry workflow, for when you run the pipeline without providing the `-entry` argument. Here we have a **workflow** that consists of one call to the `sayHello` process, which takes an input, `params.greeting`, which holds the value we gave to the `--greeting` parameter. @@ -414,7 +414,7 @@ There are two key advantages to doing this: To use it, simply add `-resume` to your command and run it: ```bash -nextflow run hello-world-plus.nf -resume +nextflow run 1-hello.nf --greeting 'Hello World!' -resume ``` The console output should look similar. @@ -425,14 +425,14 @@ The console output should look similar. ```console linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `hello-world-plus.nf` [golden_cantor] DSL2 - revision: 35bd3425e5 +Launching `1-hello.nf` [tiny_noyce] DSL2 - revision: c33d41f479 -[62/49a1f8] sayHello | 1 of 1, cached: 1 ✔ +[a3/7be2fa] process > sayHello [100%] 1 of 1, cached: 1 ✔ ```
-Look for the `cached:` bit that has been added in the process status line (line 5), which means that Nextflow has recognized that it has already done this work and simply re-used the result from the previous successful run. +Look for the `cached:` bit that has been added in the process status line (line 5), which means that Nextflow has recognized that it has already done this work and simply reused the result from the previous successful run. You can also see that the work subdirectory hash is the same as in the previous run. Nextflow is literally pointing you to the previous execution and saying "I already did that over there." From 1ffb30565de50935d2cfb1793cb76d846611a3d3 Mon Sep 17 00:00:00 2001 From: Marcel Ribeiro-Dantas Date: Wed, 16 Jul 2025 14:23:11 -0300 Subject: [PATCH 29/49] Minor fixes to Part II of Nextflow Run --- docs/nextflow_run/02_pipeline.md | 14 ++++++++------ nextflow-run/2c-modules.nf | 10 +++++----- 2 files changed, 13 insertions(+), 11 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index f1c0b3836..2f33ed203 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -81,6 +81,8 @@ results Yes! We see three output files with different names, conveniently enough. (Spoiler: we changed the workflow to name the files differently.) +If you haven't deleted the `results` folder when running Part 1 of this training, you'll see the `output.txt` file in there too. + You can open each of them to satisfy yourself that they contain the appropriate greeting string.
@@ -239,7 +241,7 @@ Let's break it down. workflow { // create a channel for inputs from a CSV file - greeting_ch = Channel.fromPath(params.greeting) + greeting_ch = Channel.fromPath(params.input) .splitCsv() .map { line -> line[0] } ``` @@ -473,7 +475,7 @@ process collectGreetings { workflow { // create a channel for inputs from a CSV file - greeting_ch = Channel.fromPath(params.greeting) + greeting_ch = Channel.fromPath(params.input) .splitCsv() .map { line -> line[0] } @@ -552,7 +554,7 @@ This one is a bit more complicated and deserves its own discussion. #### 2.3.3. Operators provide additional wiring options -What we're seeing in `convertToUpper.out.collect()` is the use of another operator (like `splitCsv` and `map` in the previous section), called `collect()`. +What we're seeing in `convertToUpper.out.collect()` is the use of another operator (like `splitCsv` and `map` in the previous section), called `collect`. This operator is used to collect the outputs from multiple calls to the same process (as when we run `sayHello` on multiple greetings independently) and package them into a single channel element. @@ -568,7 +570,7 @@ The downside is that it can sometimes make it harder to decipher what the pipeli ### 2.4. Use the graph preview -One very helpful tool for understanding what a pipeline does, if it's not adequately documented, is the graph preview functionality available in VSCode. You can see this in the training environment by clicking on the small `DAG preview` link displayed just above the workflow block in any Nextflow script. +One very helpful tool for understanding what a pipeline does, if it's not adequately documented, is the graph preview functionality available in VSCode thanks to the Nextflow extension. You can see this in the training environment by clicking on the small `DAG preview` link displayed just above the workflow block in any Nextflow script. @@ -698,7 +700,7 @@ Learn to use containers for managing software dependencies. ## 4. Using containerized software -So far the workflows we've been using as examples just needed to run very basic text procession operations using UNIX tools available in our environment. +So far the workflows we've been using as examples just needed to run very basic text processing operations using UNIX tools available in our environment. However, real-world pipelines typically require specialized tools and packages that are not included by default in most environments. Usually, you'd need to install these tools, manage their dependencies, and resolve any conflicts. @@ -953,7 +955,7 @@ The `cowpy` process, which wraps the cowpy command to generate ASCII art, is def
Code -```groovy title="modules/cowpy.nf" linenums="1" hl_lines="7" +```groovy title="modules/cowpy.nf" linenums="1" #!/usr/bin/env nextflow // Generate ASCII art with cowpy diff --git a/nextflow-run/2c-modules.nf b/nextflow-run/2c-modules.nf index 8764606bf..6fcef1c36 100644 --- a/nextflow-run/2c-modules.nf +++ b/nextflow-run/2c-modules.nf @@ -3,8 +3,7 @@ /* * Pipeline parameters */ -params.greeting = 'greetings.csv' -params.batch = 'test-batch' +params.input = 'greetings.csv' // Include modules include { sayHello } from './modules/sayHello.nf' @@ -14,7 +13,7 @@ include { collectGreetings } from './modules/collectGreetings.nf' workflow { // create a channel for inputs from a CSV file - greeting_ch = Channel.fromPath(params.greeting) + greeting_ch = Channel.fromPath(params.input) .splitCsv() .map { line -> line[0] } @@ -25,8 +24,9 @@ workflow { convertToUpper(sayHello.out) // collect all the greetings into one file - collectGreetings(convertToUpper.out.collect(), params.batch) + collectGreetings(convertToUpper.out.collect()) // emit a message about the size of the batch - collectGreetings.out.count.view { "There were $it greetings in this batch" } + sayHello.out.count().view { "There were $it greetings in this batch" } } + From f50ad29ba1eb2b3da79f54168ab5f576f1ba3183 Mon Sep 17 00:00:00 2001 From: Marcel Ribeiro-Dantas Date: Wed, 16 Jul 2025 23:04:01 -0300 Subject: [PATCH 30/49] Remove newline at the end --- nextflow-run/2c-modules.nf | 1 - 1 file changed, 1 deletion(-) diff --git a/nextflow-run/2c-modules.nf b/nextflow-run/2c-modules.nf index 6fcef1c36..f44f08738 100644 --- a/nextflow-run/2c-modules.nf +++ b/nextflow-run/2c-modules.nf @@ -29,4 +29,3 @@ workflow { // emit a message about the size of the batch sayHello.out.count().view { "There were $it greetings in this batch" } } - From 515f5901f2469ed03f4898276867ac4969e44143 Mon Sep 17 00:00:00 2001 From: Marcel Ribeiro-Dantas Date: Thu, 17 Jul 2025 00:56:25 -0300 Subject: [PATCH 31/49] Minor fixes to Part III of Nextflow Run --- docs/nextflow_run/03_config.md | 12 ++++++------ nextflow-run/test-params.json | 2 +- 2 files changed, 7 insertions(+), 7 deletions(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 7bb4839b7..fc7875e5b 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -86,14 +86,14 @@ Now we add the URI to the `cowpy` process definition using the `conda` directive publishDir 'results', mode: 'copy' ``` -To be clear, we're not _replacing_ the `docker` directive, we're _adding_ an alternative option. +To be clear, we're not _replacing_ the `container` directive, we're _adding_ an alternative option. ### 1.3. Run the workflow to verify that it can use Conda Let's try it out. ```bash -nextflow run 3-main.nf --inputs greetings.csv --character turkey +nextflow run 3-main.nf --input greetings.csv --character turkey ``` This should work without error. @@ -273,7 +273,7 @@ Conveniently, Nextflow includes built-in tools for doing this, and will happily To do so, add `-with-report .html` to your command line. ```bash -nextflow run 3-main.nf -with-report report-config-1.html +nextflow run 3-main.nf --input greetings.csv --character turkey -with-report report-config-1.html ``` The report is an html file, which you can download and open in your browser. You can also right click it in the file explorer on the left and click on `Show preview` in order to view it in the training environment. @@ -395,7 +395,7 @@ It is possible to specify default values in the workflow script itself, for exam /* * Pipeline parameters */ -params.greeting = 'greetings.csv' +params.input = 'greetings.csv' params.character = 'turkey' ``` @@ -415,7 +415,7 @@ We provide an example parameter file in the current directory, called `test-para ```json title="test-params.json" linenums="1" { - "greeting": "greetings.csv", + "input": "greetings.csv", "character": "stegosaurus" } ``` @@ -598,7 +598,7 @@ profiles { ] } test { - params.greeting = 'greetings.csv' + params.input = 'greetings.csv' params.character = 'turkey' } } diff --git a/nextflow-run/test-params.json b/nextflow-run/test-params.json index f677b3904..e6b4c06e2 100644 --- a/nextflow-run/test-params.json +++ b/nextflow-run/test-params.json @@ -1,4 +1,4 @@ { - "greet": "greetings.csv", + "input": "greetings.csv", "character": "stegosaurus" } From 246537107c1a61733c226553c0b2b4575342ca29 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 16:27:35 +0100 Subject: [PATCH 32/49] Apply suggestions from code reviews Co-authored-by: Ken Brewer --- docs/nextflow_run/01_basics.md | 6 +-- docs/nextflow_run/02_pipeline.md | 22 ++++++++--- docs/nextflow_run/03_config.md | 66 +++++++++++++++++++++++++------- nextflow-run/3-main.nf | 3 ++ nextflow-run/test-params.json | 6 +-- 5 files changed, 76 insertions(+), 27 deletions(-) diff --git a/docs/nextflow_run/01_basics.md b/docs/nextflow_run/01_basics.md index d174c03bb..53891e170 100644 --- a/docs/nextflow_run/01_basics.md +++ b/docs/nextflow_run/01_basics.md @@ -215,7 +215,7 @@ These are the helper and log files that Nextflow wrote as part of the task execu - **`.command.sh`**: The command that was actually run by the process call - **`.exitcode`**: The exit code resulting from the command -The `.command.sh` file is especially useful because it tells you what command Nextflow actually executed. +The `.command.sh` file is especially useful because it shows you the main command Nextflow executed not including all the bookkeeping and task/environment setup.
File contents @@ -343,7 +343,7 @@ The `output` definition includes the `path` qualifier, which tells Nextflow this !!! Tip The output definition does not _determine_ what output will be created. - It simply _declares_ what is the expected output, so that Nextflow can look for it once execution is complete. + It simply _declares_ where to find the expected output file(s), so that Nextflow can look for it once execution is complete. This is necessary for verifying that the command was executed successfully and for passing the output to downstream processes if needed. Output produced that doesn't match what is declared in the output block will not be passed to downstream processes. @@ -353,7 +353,7 @@ In a real-world pipeline, a process usually contains additional information uch ### 2.3. The `workflow` definition The second block of code describes the **workflow** itself. -The workflow definition starts with the keyword `workflow`, followed by an optional name, then the workflow body delimited by curly braces. You can tell Nextflow to use a specific workflow by providing the argument `-entry workflow_name`. All pipelines must have a nameless workflow, also known as the default entry workflow, for when you run the pipeline without providing the `-entry` argument. +The workflow definition starts with the keyword `workflow`, followed by an optional name, then the workflow body delimited by curly braces. Here we have a **workflow** that consists of one call to the `sayHello` process, which takes an input, `params.greeting`, which holds the value we gave to the `--greeting` parameter. diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 2f33ed203..abd5e46f9 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -561,9 +561,21 @@ This operator is used to collect the outputs from multiple calls to the same pro This allows us to take all the separate uppercased greetings produced by the second step of the workflow and feed them all together to a single call in the third step of the pipeline. If we didn't apply `collect()` to the output of `convertToUpper()` before feeding it to `collectGreetings()`, Nextflow would simply run `collectGreetings()` independently on each greeting, which would not achieve our goal. - - -There are many other operators available to apply transformations to the contents of channels between process calls. +```mermaid +flowchart TB + subgraph " " + subgraph params + v0["input"] + end + v2([sayHello]) + v3([convertToUpper]) + v4([collectGreetings]) + v0 --> v2 + v2 --> v3 + v3 --> v4 + end + +There are many other [operators](https://www.nextflow.io/docs/latest/reference/operator.html#operator-page) available to apply transformations to the contents of channels between process calls. This gives pipeline developers a lot of flexibility for customizing the flow logic of their pipeline. The downside is that it can sometimes make it harder to decipher what the pipeline is doing. @@ -1106,9 +1118,7 @@ Open the `.command.run` file and search for `nxf_launch` to find the launch comm
Partial file contents -````console title="work/7f/caf7189fca6c56ba627b75749edcb3/.command.run" - -```bash +```bash title="work/7f/caf7189fca6c56ba627b75749edcb3/.command.run" nxf_launch() { docker run -i --cpu-shares 1024 -e "NXF_TASK_WORKDIR" -v /workspaces/training/hello-nextflow/work:/workspaces/training/hello-nextflow/work -w "$NXF_TASK_WORKDIR" --name $NXF_BOXID community.wave.seqera.io/library/pip_cowpy:131d6a1b707a8e65 /bin/bash -ue /workspaces/training/nextflow-run/work/7f/caf7189fca6c56ba627b75749edcb3/.command.sh } diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index fc7875e5b..1ac49e235 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -93,7 +93,8 @@ To be clear, we're not _replacing_ the `container` directive, we're _adding_ an Let's try it out. ```bash -nextflow run 3-main.nf --input greetings.csv --character turkey +params.input = 'greetings.csv' +params.character = 'turkey' ``` This should work without error. @@ -273,7 +274,7 @@ Conveniently, Nextflow includes built-in tools for doing this, and will happily To do so, add `-with-report .html` to your command line. ```bash -nextflow run 3-main.nf --input greetings.csv --character turkey -with-report report-config-1.html +nextflow run 3-main.nf -with-report report-config-1.html ``` The report is an html file, which you can download and open in your browser. You can also right click it in the file explorer on the left and click on `Show preview` in order to view it in the training environment. @@ -389,7 +390,6 @@ However, many real-world workflows will have many more parameters that may be ru It is possible to specify default values in the workflow script itself, for example you may see something like this in the main body of the workflow: - ```groovy title="Syntax example" /* @@ -401,23 +401,61 @@ params.character = 'turkey' The same syntax can also be used to store parameter defaults in the `nextflow.config` file. -If you were to add this to either, you could leave out those parameters from your command-line and Nextflow would use those default values. -You could then override those values by specifying the parameters in the command-line. +A clean way to over-ride those defaults without modifying the original script file to create a new `nextflow.config` file in a run-specific working directory. Let's start by creating a new directory: + +```bash +mkdir -p tux-run +cd tux-run +``` + +Now let's add a parameters we want to customize to a `nextflow.config` file in our `tux-run` directory. + +```groovy title="tux-run/nextflow.config +params.input = '../greetings.csv' +params.character = 'tux' +``` + +Now let's run our pipeline from our new working directory: + +```bash +nextflow run ../3-main.nf +``` + +```console +Nextflow 25.04.6 is available - Please consider updating your version to it + + N E X T F L O W ~ version 25.04.5 + +Launching `../3-main.nf` [awesome_meninsky] DSL2 - revision: e8b1665370 + +executor > local (8) +[75/9774ec] sayHello (3) | 3 of 3 ✔ +[c3/fd4468] convertToUpper (1) | 3 of 3 ✔ +[a2/c451cf] collectGreetings | 1 of 1 ✔ +[7f/c0702b] cowpy | 1 of 1 ✔ +``` + +Nextflow combines the `nextflow.config` in our current directory with the `nextflow.config` in our pipeline's directory and overrides the turkey default character with the tux character. + +Now let's change back to our previous directory. + +```bash +cd .. +``` + ### 4.2. Using a parameter file Nextflow allows us to specify parameters via a parameter file in JSON format, which makes it very convenient to manage and distribute alternative sets of default values, for example, as well as run-specific parameter values. -We provide an example parameter file in the current directory, called `test-params.json`, which contains a key-value pair for each of the inputs our workflow expects. +We provide an example parameter file in the current directory, called `test-params.yaml`, which contains a key-value pair for each of the inputs our workflow expects.
File contents -```json title="test-params.json" linenums="1" -{ - "input": "greetings.csv", - "character": "stegosaurus" -} +```yaml title="test-params.yaml" linenums="1" +input: "greetings.csv" +character: "stegosaurus" ```
@@ -425,7 +463,7 @@ We provide an example parameter file in the current directory, called `test-para To run the workflow with this parameter file, simply add `-params-file ` to the base command. ```bash -nextflow run 3-main.nf -params-file test-params.json +nextflow run 3-main.nf -params-file test-params.yaml ``` This should run without error. @@ -532,7 +570,7 @@ To specify a profile in our Nextflow command line, we use the `-profile` argumen Let's try running the workflow with the `my_laptop` configuration. ```bash -nextflow run 3-main.nf --input greetings.csv --character turkey -profile my_laptop +nextflow run 3-main.nf -profile my_laptop ``` This should run without error and produce the same results as previously. @@ -599,7 +637,7 @@ profiles { } test { params.input = 'greetings.csv' - params.character = 'turkey' + params.character = 'cow' } } ``` diff --git a/nextflow-run/3-main.nf b/nextflow-run/3-main.nf index e8c6b1caa..e4d4acc06 100644 --- a/nextflow-run/3-main.nf +++ b/nextflow-run/3-main.nf @@ -1,5 +1,8 @@ #!/usr/bin/env nextflow +// Default parameters +params.input = 'greetings.csv' +params.character = 'turkey' // Include modules include { sayHello } from './modules/sayHello.nf' include { convertToUpper } from './modules/convertToUpper.nf' diff --git a/nextflow-run/test-params.json b/nextflow-run/test-params.json index e6b4c06e2..8199729d4 100644 --- a/nextflow-run/test-params.json +++ b/nextflow-run/test-params.json @@ -1,4 +1,2 @@ -{ - "input": "greetings.csv", - "character": "stegosaurus" -} +input: "greetings.csv", +character: "stegosaurus" From dca393be2aa1b993bbc4a847ce9574a3e9c8ac9f Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 15:43:15 +0000 Subject: [PATCH 33/49] update json to yaml --- nextflow-run/{test-params.json => test-params.yaml} | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) rename nextflow-run/{test-params.json => test-params.yaml} (51%) diff --git a/nextflow-run/test-params.json b/nextflow-run/test-params.yaml similarity index 51% rename from nextflow-run/test-params.json rename to nextflow-run/test-params.yaml index 8199729d4..c142eaf19 100644 --- a/nextflow-run/test-params.json +++ b/nextflow-run/test-params.yaml @@ -1,2 +1,2 @@ -input: "greetings.csv", +input: "greetings.csv" character: "stegosaurus" From 502eadb12136cf83b543abb467e0ce8914758118 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 16:00:55 +0000 Subject: [PATCH 34/49] fix prettier issues (mermaid?) --- docs/nextflow_run/02_pipeline.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index abd5e46f9..153fa11c6 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -574,6 +574,7 @@ flowchart TB v2 --> v3 v3 --> v4 end +``` There are many other [operators](https://www.nextflow.io/docs/latest/reference/operator.html#operator-page) available to apply transformations to the contents of channels between process calls. @@ -1122,7 +1123,7 @@ Open the `.command.run` file and search for `nxf_launch` to find the launch comm nxf_launch() { docker run -i --cpu-shares 1024 -e "NXF_TASK_WORKDIR" -v /workspaces/training/hello-nextflow/work:/workspaces/training/hello-nextflow/work -w "$NXF_TASK_WORKDIR" --name $NXF_BOXID community.wave.seqera.io/library/pip_cowpy:131d6a1b707a8e65 /bin/bash -ue /workspaces/training/nextflow-run/work/7f/caf7189fca6c56ba627b75749edcb3/.command.sh } -```` +```
From 28fd3bca5a7c672c3c11c89c52f9290276c1e8cd Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 16:58:06 +0000 Subject: [PATCH 35/49] Fixed and expanded the run-specific config --- docs/nextflow_run/03_config.md | 141 ++++++++++++++++++++++++++------- 1 file changed, 113 insertions(+), 28 deletions(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 1ac49e235..6b7ae4ce9 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -93,8 +93,7 @@ To be clear, we're not _replacing_ the `container` directive, we're _adding_ an Let's try it out. ```bash -params.input = 'greetings.csv' -params.character = 'turkey' +nextflow run 3-main.nf --input greetings.csv --character turkey ``` This should work without error. @@ -167,9 +166,7 @@ process { } ``` -To set the executor to target a different backend, simply specify the executor you want using similar syntax as described above for resource allocations. - - +To set the executor to target a different backend, simply specify the executor you want using similar syntax as described above for resource allocations (see [documentation](https://www.nextflow.io/docs/latest/executor.html) for all options). ```groovy title="nextflow.config" process { @@ -386,12 +383,43 @@ Currently, our workflow is set up to accept a couple of parameter values via the This is fine for a simple workflow with very few parameters that need to be set for a given run. However, many real-world workflows will have many more parameters that may be run-specific, and putting all of them in the command line would be tedious and error-prone. -### 4.1. Specifying default values directly in the workflow or the `nextflow.config` file - -It is possible to specify default values in the workflow script itself, for example you may see something like this in the main body of the workflow: +### 4.1. Specify default parameter values +It is possible to specify default values in the workflow script itself; for example you may see something like this in the main body of the workflow: ```groovy title="Syntax example" +params.input = 'greetings.csv' +params.character = 'turkey' +``` + +The same syntax can also be used to store parameter defaults in the `nextflow.config` file. +Let's try that out. + +Open the `nextflow.config` file and add the following lines to it: + +```groovy title="nextflow.config" linenums="1" +/* + * Pipeline parameters + */ +params.input = '../greetings.csv' +params.character = 'turkey' +``` + +
+ Code (full file) + +```groovy title="nextflow.config" linenums="1" hl="12-16" +docker.enabled = false +conda.enabled = true + +process { + memory = 1.GB + withName: 'cowpy' { + memory = 2.GB + cpus = 2 + } +} + /* * Pipeline parameters */ @@ -399,56 +427,113 @@ params.input = 'greetings.csv' params.character = 'turkey' ``` -The same syntax can also be used to store parameter defaults in the `nextflow.config` file. +Now you can run the workflow without specifying the parameters on the command line. -A clean way to over-ride those defaults without modifying the original script file to create a new `nextflow.config` file in a run-specific working directory. Let's start by creating a new directory: +```bash +nextflow run 3-main.nf +``` + +This will produce the same output, but is more convenient to type, especially when the workflow requires multiple parameters. + +
+ Command output + +```console linenums="1" + N E X T F L O W ~ version 25.04.3 + +Launching `3-main.nf` [] DSL2 - revision: bc8e1b2726 + +UPDATE OUTPUT +``` + +
+ +The final output file should contain the turkey character saying the greetings. + +
+ File contents + +```console title="results/cowpy-COLLECTED-output.txt" +UPDATE WITH TURKEY +``` + +
+ +You can override those defaults by providing parameter values on the command line, or by providing them through another source of configuration information. + +### 4.2. Override defaults with a run-specific config file + +You may want to override those defaults without having to either specify parameters on the command line, or modify the original script file. + +A clean way to do this is to create a new `nextflow.config` file in a run-specific working directory. + +Let's start by creating a new directory: ```bash mkdir -p tux-run cd tux-run ``` -Now let's add a parameters we want to customize to a `nextflow.config` file in our `tux-run` directory. +Then, create a blank configuration file in that directory: + +```bash +touch tux-run/nextflow.config +``` + +Now open the new file and add the parameters you want to customize: ```groovy title="tux-run/nextflow.config params.input = '../greetings.csv' params.character = 'tux' ``` -Now let's run our pipeline from our new working directory: +Note that the path to the input file must reflect the directory structure. + +We can now run our pipeline from within our new working directory: ```bash nextflow run ../3-main.nf ``` -```console -Nextflow 25.04.6 is available - Please consider updating your version to it +This will create a completely new set of directories under `tux-run/` including `tux-run/work/` and `tux-run/results/`. - N E X T F L O W ~ version 25.04.5 +
+ Command output -Launching `../3-main.nf` [awesome_meninsky] DSL2 - revision: e8b1665370 +```console linenums="1" -executor > local (8) -[75/9774ec] sayHello (3) | 3 of 3 ✔ -[c3/fd4468] convertToUpper (1) | 3 of 3 ✔ -[a2/c451cf] collectGreetings | 1 of 1 ✔ -[7f/c0702b] cowpy | 1 of 1 ✔ +UPDATE OUTPUT +``` + +
+ +In this run, Nextflow combines the `nextflow.config` in our current directory with the `nextflow.config` in the root directory of the pipeline, and thereby overrides the default character (turkey) with the tux character. + +The final output file should contain the tux character saying the greetings. + +
+ File contents + +```console title="results/cowpy-COLLECTED-output.txt" +UPDATE WITH TUX ``` -Nextflow combines the `nextflow.config` in our current directory with the `nextflow.config` in our pipeline's directory and overrides the turkey default character with the tux character. +
+ +That's it! -Now let's change back to our previous directory. +Make sure to change back to the previous directory before moving to the next section. ```bash cd .. ``` +### 4.3. Specify parameters using a parameter file -### 4.2. Using a parameter file - -Nextflow allows us to specify parameters via a parameter file in JSON format, which makes it very convenient to manage and distribute alternative sets of default values, for example, as well as run-specific parameter values. +Nextflow also allows us to specify parameters via a parameter file in either YAML or JSON format. +This makes it very convenient to manage and distribute alternative sets of default values, for example, as well as run-specific parameter values. -We provide an example parameter file in the current directory, called `test-params.yaml`, which contains a key-value pair for each of the inputs our workflow expects. +We provide an example YAML parameter file in the current directory, called `test-params.yaml`, which contains a key-value pair for each of the inputs our workflow expects.
File contents @@ -485,7 +570,7 @@ executor > local (8)
-The final output file should contain the appropriate character saying the greetings. +The final output file should contain the stegosaurus character saying the greetings.
File contents From 8fcd0e893940b7dcacfaca03679e7c544f9f9a63 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:09:03 +0000 Subject: [PATCH 36/49] Improved headers --- docs/nextflow_run/02_pipeline.md | 4 ++-- docs/nextflow_run/03_config.md | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 153fa11c6..e62bb594b 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -323,7 +323,7 @@ Discover how multi-step workflows are constructed and how they operate. --- -## 2. Multi-step workflows +## 2. Running multi-step workflows Most real-world workflows involve more than one step. Let's build on what we just learned about channels, and look at how Nextflow uses channels and operators to connect processes together in a multi-step workflow. @@ -599,7 +599,7 @@ Learn how Nextflow pipelines can be modularized to promote code reuse and mainta --- -## 3. Modular code components +## 3. Running modularized pipelines So far, all the workflows we've looked at have consisted of one single workflow file containing all the relevant code. diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 6b7ae4ce9..adeee2a2e 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -374,7 +374,7 @@ Learn how to manage workflow parameters. --- -## 4. Managing workflow parameters +## 4. Manage workflow parameters So far we've been looking at configuration from the technical point of view of the compute infrastructure. Now let's consider another aspect of workflow configuration that is very important for reproducibility: the configuration of the workflow parameters. From d76c3bf2d3a26b6c55e219baa0fd10e508d44e63 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:10:38 +0000 Subject: [PATCH 37/49] Fixed formatting error to details box --- docs/nextflow_run/03_config.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index adeee2a2e..cd7d76525 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -427,6 +427,8 @@ params.input = 'greetings.csv' params.character = 'turkey' ``` +
+ Now you can run the workflow without specifying the parameters on the command line. ```bash From 62fa6e73d0249785738a559ab0f5beccc41de07c Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:11:55 +0000 Subject: [PATCH 38/49] take out mermaid code (not rendering) --- docs/nextflow_run/02_pipeline.md | 15 +-------------- 1 file changed, 1 insertion(+), 14 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index e62bb594b..1dce13bbf 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -561,20 +561,7 @@ This operator is used to collect the outputs from multiple calls to the same pro This allows us to take all the separate uppercased greetings produced by the second step of the workflow and feed them all together to a single call in the third step of the pipeline. If we didn't apply `collect()` to the output of `convertToUpper()` before feeding it to `collectGreetings()`, Nextflow would simply run `collectGreetings()` independently on each greeting, which would not achieve our goal. -```mermaid -flowchart TB - subgraph " " - subgraph params - v0["input"] - end - v2([sayHello]) - v3([convertToUpper]) - v4([collectGreetings]) - v0 --> v2 - v2 --> v3 - v3 --> v4 - end -``` + There are many other [operators](https://www.nextflow.io/docs/latest/reference/operator.html#operator-page) available to apply transformations to the contents of channels between process calls. From 3e2ddf97f31cc3390e17f19aadfc9eb200724250 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:24:41 +0000 Subject: [PATCH 39/49] code box is glitching --- docs/nextflow_run/03_config.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index cd7d76525..475bb8507 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -406,7 +406,7 @@ params.character = 'turkey' ```
- Code (full file) + Code ```groovy title="nextflow.config" linenums="1" hl="12-16" docker.enabled = false From a8cb72a2eb5c8013c8eab97926da779e0dbe13f1 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:27:45 +0000 Subject: [PATCH 40/49] temp test --- docs/nextflow_run/03_config.md | 21 ++------------------- 1 file changed, 2 insertions(+), 19 deletions(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 475bb8507..b6de25054 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -406,26 +406,9 @@ params.character = 'turkey' ```
- Code + Code (full file) -```groovy title="nextflow.config" linenums="1" hl="12-16" -docker.enabled = false -conda.enabled = true - -process { - memory = 1.GB - withName: 'cowpy' { - memory = 2.GB - cpus = 2 - } -} - -/* - * Pipeline parameters - */ -params.input = 'greetings.csv' -params.character = 'turkey' -``` +TEMP TEST CONTENT
From 5d100ab557e1ffabe8482d972db00ba1e3bd2f85 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:34:20 +0000 Subject: [PATCH 41/49] test 2 --- docs/nextflow_run/03_config.md | 18 +++++++++++++++++- 1 file changed, 17 insertions(+), 1 deletion(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index b6de25054..c27aa6629 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -408,7 +408,23 @@ params.character = 'turkey'
Code (full file) -TEMP TEST CONTENT +```groovy title="nextflow.config" linenums="1" +process sayHello { + + publishDir 'results', mode: 'copy' + + input: + val greeting + + output: + path "${greeting}-output.txt" + + script: + """ + echo '$greeting' > '$greeting-output.txt' + """ +} +```
From d2f17c4d58ce0f5c00840aa6507cfef6759b78d8 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:36:32 +0000 Subject: [PATCH 42/49] test 3 --- docs/nextflow_run/03_config.md | 21 +++++++-------------- 1 file changed, 7 insertions(+), 14 deletions(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index c27aa6629..d5fefbe4f 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -409,21 +409,14 @@ params.character = 'turkey' Code (full file) ```groovy title="nextflow.config" linenums="1" -process sayHello { +docker.enabled = false +conda.enabled = true - publishDir 'results', mode: 'copy' - - input: - val greeting - - output: - path "${greeting}-output.txt" - - script: - """ - echo '$greeting' > '$greeting-output.txt' - """ -} +/* + * Pipeline parameters + */ +params.input = '../greetings.csv' +params.character = 'turkey' ```
From d243f75dc9bfc80d89de1ec69301cd4581ae3a1c Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:41:12 +0000 Subject: [PATCH 43/49] should be fixed now --- docs/nextflow_run/03_config.md | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index d5fefbe4f..5dfacc5bf 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -412,6 +412,14 @@ params.character = 'turkey' docker.enabled = false conda.enabled = true +process { + memory = 1.GB + withName: 'cowpy' { + memory = 2.GB + cpus = 2 + } +} + /* * Pipeline parameters */ From a63e9f3bbf7abe183ce0a53b465e454cba317fb0 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 17:56:41 +0000 Subject: [PATCH 44/49] fix path --- docs/nextflow_run/03_config.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 5dfacc5bf..820e606e5 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -423,7 +423,7 @@ process { /* * Pipeline parameters */ -params.input = '../greetings.csv' +params.input = 'greetings.csv' params.character = 'turkey' ``` From 3cb6172fe6a10853f5a66960d1a39d097802fb52 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 21:24:35 +0000 Subject: [PATCH 45/49] Added diagrams --- docs/nextflow_run/02_pipeline.md | 43 ++++++++++++++++-- docs/nextflow_run/img/cpu-after.png | Bin 32588 -> 0 bytes docs/nextflow_run/img/cpu-before.png | Bin 34004 -> 0 bytes docs/nextflow_run/img/dag-workflow.svg | 1 + .../nextflow_run/img/hello-pipeline-cowpy.svg | 5 ++ .../img/hello-pipeline-multi-inputs.svg | 4 ++ .../img/hello-pipeline-multi-steps.svg | 4 ++ docs/nextflow_run/img/memory-after.png | Bin 26872 -> 0 bytes docs/nextflow_run/img/memory-before.png | Bin 30629 -> 0 bytes docs/nextflow_run/img/nested.excalidraw.svg | 21 --------- docs/nextflow_run/img/nf-core-modules.png | Bin 569464 -> 0 bytes docs/nextflow_run/img/pipeline.excalidraw.svg | 21 --------- docs/nextflow_run/img/pipeline_schema.png | Bin 263612 -> 0 bytes docs/nextflow_run/img/report_cover.png | Bin 141356 -> 0 bytes docs/nextflow_run/img/seqera-containers-1.png | Bin 180669 -> 0 bytes docs/nextflow_run/img/seqera-containers-2.png | Bin 189916 -> 0 bytes .../img/with-collect-operator.svg | 4 ++ .../img/without-collect-operator.svg | 4 ++ 18 files changed, 60 insertions(+), 47 deletions(-) delete mode 100644 docs/nextflow_run/img/cpu-after.png delete mode 100644 docs/nextflow_run/img/cpu-before.png create mode 100644 docs/nextflow_run/img/dag-workflow.svg create mode 100644 docs/nextflow_run/img/hello-pipeline-cowpy.svg create mode 100644 docs/nextflow_run/img/hello-pipeline-multi-inputs.svg create mode 100644 docs/nextflow_run/img/hello-pipeline-multi-steps.svg delete mode 100644 docs/nextflow_run/img/memory-after.png delete mode 100644 docs/nextflow_run/img/memory-before.png delete mode 100644 docs/nextflow_run/img/nested.excalidraw.svg delete mode 100644 docs/nextflow_run/img/nf-core-modules.png delete mode 100644 docs/nextflow_run/img/pipeline.excalidraw.svg delete mode 100644 docs/nextflow_run/img/pipeline_schema.png delete mode 100644 docs/nextflow_run/img/report_cover.png delete mode 100644 docs/nextflow_run/img/seqera-containers-1.png delete mode 100644 docs/nextflow_run/img/seqera-containers-2.png create mode 100644 docs/nextflow_run/img/with-collect-operator.svg create mode 100644 docs/nextflow_run/img/without-collect-operator.svg diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 1dce13bbf..66f1a4bdc 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -31,7 +31,9 @@ Note that the numbers are not meaningful, they are just there for illustrative p And we've written an improved version of the original workflow, now called `2a-inputs.nf`, that will read in the CSV file, extract the greetings and write each of them to a separate file. - +
+--8<-- "docs/nextflow-run/img/hello-pipeline-multi-inputs.svg" +
Let's run the workflow first, and we'll take a look at the relevant Nextflow code afterward. @@ -335,7 +337,9 @@ To that end, we provide you with an example workflow that chains together three Specifically, we made an expanded version of the workflow called `2b-multistep.nf` that takes each input greeting, converts it to uppercase, then collects all the uppercased greetings into a single output file. - +
+--8<-- "docs/nextflow-run/img/hello-pipeline-multi-steps.svg" +
As previously, we'll run the workflow first then look at the code to see what's changed. @@ -559,9 +563,16 @@ What we're seeing in `convertToUpper.out.collect()` is the use of another operat This operator is used to collect the outputs from multiple calls to the same process (as when we run `sayHello` on multiple greetings independently) and package them into a single channel element. This allows us to take all the separate uppercased greetings produced by the second step of the workflow and feed them all together to a single call in the third step of the pipeline. + +
+--8<-- "docs/nextflow-run/img/with-collect-operator.svg" +
+ If we didn't apply `collect()` to the output of `convertToUpper()` before feeding it to `collectGreetings()`, Nextflow would simply run `collectGreetings()` independently on each greeting, which would not achieve our goal. - +
+--8<-- "docs/nextflow-run/img/without-collect-operator.svg" +
There are many other [operators](https://www.nextflow.io/docs/latest/reference/operator.html#operator-page) available to apply transformations to the contents of channels between process calls. @@ -572,7 +583,9 @@ The downside is that it can sometimes make it harder to decipher what the pipeli One very helpful tool for understanding what a pipeline does, if it's not adequately documented, is the graph preview functionality available in VSCode thanks to the Nextflow extension. You can see this in the training environment by clicking on the small `DAG preview` link displayed just above the workflow block in any Nextflow script. - +
+--8<-- "docs/nextflow-run/img/dag-workflow.svg" +
This does not show operators, but it does give a useful representation of how process calls are connected and what are their inputs. @@ -603,7 +616,21 @@ This makes the code more shareable, flexible and maintainable. We have of course once again prepared a suitable workflow for demonstration purposes, called `2c-modules.nf`, along with a set of modules located in the `modules/` directory. - +
+ Directory contents + +```console title="modules/" +modules/ +├── collectGreetings.nf +├── convertToUpper.nf +├── cowpy.nf +└── sayHello.nf +``` + +
+ +You see there are four Nextflow files, each named after one of the processes. +You can ignore the `cowpy.nf` file for now; we'll get to that one later. ### 3.1. Examine the code @@ -904,6 +931,12 @@ We just need to specify a container for each process. To demonstrate how this work, we made another version of our workflow that runs `cowpy` on the file of collected greetings produced in the third step. +
+--8<-- "docs/nextflow-run/img/hello-pipeline-cowpy.svg" +
+ +This should output a file containing the ASCII art with the three greetings in the speech bubble. + #### 4.2.1. Examine the code The workflow is very similar to the previous one, plus the extra step to run `cowpy. diff --git a/docs/nextflow_run/img/cpu-after.png b/docs/nextflow_run/img/cpu-after.png deleted file mode 100644 index f173ef020e37059800495443219975ca9b8408f4..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 32588 zcmeFZc|6qn`#zqD5)nmCRFp~xm94U;CX}*|btGkHvX9+V+9gVggk&8|*_Rolg@|lp zpD_~IP1y;*`&H-EdA~p3-~Zq52<)bBrI5mRRjX#D*EJjI^BhM?G36w|OPbPbAK1o^>(_gnYRN3gJ>q|_N) z)8i?gzy1<=f))GhUtglm$%9`T6fnH~?_Y-}2r>4*-T-+_q!GnRSMS9hyYbH#h`=js z``=gie`gjdH*8n(`RFszD${a$#j_-p`EIM9gB05I1JV=g-WtktFcPKv5WA8!G7b|qo5%&go;zd6;9B~y6Kbv zsdLYi6)x8BlrgI~HEF@C%X8yRr-TdK``??ryUlMnP&`Ku7;ibJ#^svaA1!Y9UQofs zp*~iglW(9rXld-)ma~`b%&1)j&R@CZ9h+YmZOTwrw5ejXAmd*xuPjX_x$@&J3SAr( zdjs>9=PFhUx^WdMAKdwF^RE$7baP32=AXGld!`aFc3sHrvf5}{cDMUi>XiFvc9D77 z+4!uJceZ}Ow&z}|8|%9v>=PngHkR98_(azJp7=+#)gMzn@3+}snT4+1J?nYGFG!FlI$phbByHu?Zs{3L!}o{Jju-WI#rx77V=O&x 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params

input

sayHello

convertToUpper

collectGreetings

cowpy

character

\ No newline at end of file diff --git a/docs/nextflow_run/img/hello-pipeline-cowpy.svg b/docs/nextflow_run/img/hello-pipeline-cowpy.svg new file mode 100644 index 000000000..be4b89fb4 --- /dev/null +++ b/docs/nextflow_run/img/hello-pipeline-cowpy.svg @@ -0,0 +1,5 @@ + + +COLLECTED-output.txtHELLOBONJOURHOLAcowPycowpy-COLLECTED-output.txt ________/ HOLA \| HELLO |\ BONJOUR / -------- \ ^__^ \ (oo)\_______ (__)\ )\/\ ||----w | || || \ No newline at end of file diff --git a/docs/nextflow_run/img/hello-pipeline-multi-inputs.svg b/docs/nextflow_run/img/hello-pipeline-multi-inputs.svg new file mode 100644 index 000000000..088bd13a0 --- /dev/null +++ b/docs/nextflow_run/img/hello-pipeline-multi-inputs.svg @@ -0,0 +1,4 @@ + + +sayHello*-output.txtHelloBonjourHolaHello,English,123 Bonjour,French,456Hola,Spanish,789greetings.csvHello-output.txtBonjour-output.txtHola-output.txt \ No newline at end of file diff --git a/docs/nextflow_run/img/hello-pipeline-multi-steps.svg 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- - - - - InputsMODULE_1SUBWORKFLOW_1OutputsMODULE_4MODULE_2MODULE_3WORKFLOWSUBWORKFLOW_1MODULE_2modules.configtool argumentspublishingoutput namesbase.configcompute resourceserror strategiesprocess MODULE_2 { label "process low" input: tuple val(meta), path(fasta) output: tuple val(meta), path(fai) when: task.ext.when == null || task.ext.when script: def args = task.ext.args ?: '' """ my-function $args -i $fasta -o $fai """ } \ No newline at end of file diff --git a/docs/nextflow_run/img/nf-core-modules.png b/docs/nextflow_run/img/nf-core-modules.png deleted file mode 100644 index 43c06de060206bf174f77b34026995bcc7310b53..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 569464 zcmeFZbyQs0z90+)f+fKr!6mp`aCdjN6a;rD+zGD1U4lCyxD(t9cPB{U1oyAF_jRXV z&%CvIzPskXsdWx#*WPE_&t(^(it-Y#k#LcqprBq$Ns1~%K_M4FLA^{xcnPU7`r)?< z1@%hCTtq}sN<@TM(ZSZl+{zdVN-{J-171@_1CQV3lQ05mh;PKVBw|uB-w0IoIXod% zVRYh%w;29mc=YPu`SXULyzs3@$ouXI6{6gq1{zGFv47Xi&GMGG 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Qvdbs3SRG2~r7)g4Qjv8O0}c z0rh}fyXYwB*l^bR$hJvn*%(*QK8rFiTzbaOaZ{|gzBVqr1sA+% z)0i4YbCp(7H&XG(plj`0p12hV@Y9i3%w5)1+W901Jv|`MSaqC0vrM)j>_=P0@Wtlx zFsEkI62nX=Tz(6_qhfS-o({xDiv1i)6{E7Ejg;Hc^RhEC$};zd9pGZAT|_-}0%T`W z@=wE^LJU|TmrFNYm8z=(mIh3Wj??5I#JnA^A;H1HtIlo<*6Vrnh$%?7swz__&~+6D z6RF@E)jRaL%w=ILc7?ipy=dBZ77}j#ql@ZxfsUQ%xMPrYl_B*n#$cTF#G~n~ounP$ z=nbs*0f7~F2u(iifoLpr>k7e!ixyIOBE!FmAaqdc2-XR)L5t0D#1AB89A$T#`=f8S zxEi<)Kc@LEJN{=&{(a`MT}*5V85|P*<2`KgTeC#L$b0>l6!HH%X=cQb!S=KB2#;>e zKS0(8Ab(59k=dHQZ|PW!Vyd%(Ca2Z(8Fg6E&$JpY{)2 xH8A}L$Sgqs^6qo4Nk36zJ>XmGj5@%#B4+8-+OoGd?l=!{SRefbRblQP`yUInY{CEl diff --git a/docs/nextflow_run/img/with-collect-operator.svg b/docs/nextflow_run/img/with-collect-operator.svg new file mode 100644 index 000000000..0b70c11d3 --- /dev/null +++ b/docs/nextflow_run/img/with-collect-operator.svg @@ -0,0 +1,4 @@ + + +collectGreetingsCOLLECTED-output.txtHELLOBONJOURHOLàUPPER-Hello-output.txtUPPER-Bonjour-output.txtUPPER-Holà-output.txtWITH THE collect() OPERATOR \ No newline at end of file diff --git a/docs/nextflow_run/img/without-collect-operator.svg b/docs/nextflow_run/img/without-collect-operator.svg new file mode 100644 index 000000000..fc2473ae0 --- /dev/null +++ b/docs/nextflow_run/img/without-collect-operator.svg @@ -0,0 +1,4 @@ + + +UPPER-Hello-output.txtUPPER-Bonjour-output.txtUPPER-Holà-output.txtcollectGreetingscollectGreetingscollectGreetingsCOLLECTED-output.txtCOLLECTED-output.txtCOLLECTED-output.txtHELLOBONJOURHOLàWITHOUT THE collect() OPERATOR \ No newline at end of file From 09e0721964a2816c80f4030a6d505e77769e6725 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 21:32:32 +0000 Subject: [PATCH 46/49] fix img paths (facepalm) --- docs/nextflow_run/02_pipeline.md | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 66f1a4bdc..3819f8032 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -32,7 +32,7 @@ Note that the numbers are not meaningful, they are just there for illustrative p And we've written an improved version of the original workflow, now called `2a-inputs.nf`, that will read in the CSV file, extract the greetings and write each of them to a separate file.

---8<-- "docs/nextflow-run/img/hello-pipeline-multi-inputs.svg" +--8<-- "docs/nextflow_run/img/hello-pipeline-multi-inputs.svg"
Let's run the workflow first, and we'll take a look at the relevant Nextflow code afterward. @@ -338,7 +338,7 @@ To that end, we provide you with an example workflow that chains together three Specifically, we made an expanded version of the workflow called `2b-multistep.nf` that takes each input greeting, converts it to uppercase, then collects all the uppercased greetings into a single output file.
---8<-- "docs/nextflow-run/img/hello-pipeline-multi-steps.svg" +--8<-- "docs/nextflow_run/img/hello-pipeline-multi-steps.svg"
As previously, we'll run the workflow first then look at the code to see what's changed. @@ -565,13 +565,13 @@ This operator is used to collect the outputs from multiple calls to the same pro This allows us to take all the separate uppercased greetings produced by the second step of the workflow and feed them all together to a single call in the third step of the pipeline.
---8<-- "docs/nextflow-run/img/with-collect-operator.svg" +--8<-- "docs/nextflow_run/img/with-collect-operator.svg"
If we didn't apply `collect()` to the output of `convertToUpper()` before feeding it to `collectGreetings()`, Nextflow would simply run `collectGreetings()` independently on each greeting, which would not achieve our goal.
---8<-- "docs/nextflow-run/img/without-collect-operator.svg" +--8<-- "docs/nextflow_run/img/without-collect-operator.svg"
There are many other [operators](https://www.nextflow.io/docs/latest/reference/operator.html#operator-page) available to apply transformations to the contents of channels between process calls. @@ -584,7 +584,7 @@ The downside is that it can sometimes make it harder to decipher what the pipeli One very helpful tool for understanding what a pipeline does, if it's not adequately documented, is the graph preview functionality available in VSCode thanks to the Nextflow extension. You can see this in the training environment by clicking on the small `DAG preview` link displayed just above the workflow block in any Nextflow script.
---8<-- "docs/nextflow-run/img/dag-workflow.svg" +--8<-- "docs/nextflow_run/img/dag-workflow.svg"
This does not show operators, but it does give a useful representation of how process calls are connected and what are their inputs. @@ -932,7 +932,7 @@ We just need to specify a container for each process. To demonstrate how this work, we made another version of our workflow that runs `cowpy` on the file of collected greetings produced in the third step.
---8<-- "docs/nextflow-run/img/hello-pipeline-cowpy.svg" +--8<-- "docs/nextflow_run/img/hello-pipeline-cowpy.svg"
This should output a file containing the ASCII art with the three greetings in the speech bubble. From b4c115cbf715a99f215ecc37e4cc30eb5005355d Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 21:40:15 +0000 Subject: [PATCH 47/49] switch dag preview to png as the svg is not working correctly --- docs/nextflow_run/02_pipeline.md | 4 +--- docs/nextflow_run/img/DAG-preview.png | Bin 0 -> 69355 bytes 2 files changed, 1 insertion(+), 3 deletions(-) create mode 100644 docs/nextflow_run/img/DAG-preview.png diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 3819f8032..5bf9282d2 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -583,9 +583,7 @@ The downside is that it can sometimes make it harder to decipher what the pipeli One very helpful tool for understanding what a pipeline does, if it's not adequately documented, is the graph preview functionality available in VSCode thanks to the Nextflow extension. You can see this in the training environment by clicking on the small `DAG preview` link displayed just above the workflow block in any Nextflow script. -
---8<-- "docs/nextflow_run/img/dag-workflow.svg" -
+![DAG preview](img/DAG-preview.png) This does not show operators, but it does give a useful representation of how process calls are connected and what are their inputs. diff --git a/docs/nextflow_run/img/DAG-preview.png b/docs/nextflow_run/img/DAG-preview.png new file mode 100644 index 0000000000000000000000000000000000000000..df76cc45e577294eb818c7229864ce6c5fb82fe3 GIT binary patch literal 69355 zcmeFZWmuKn);3H^iJ%CGC?%n^q;!ZN2ntA-G}5`~S|Xw%pdy`0*CH1kOOZ~gMT63f zbo0#%_r9O~J@3Q5pZELo{n;D`ljXIpm~+e#=Qzi>e53qWj+pQ|AqEBpvHU|BRSXO~ z1O^5cGyVl|Wa?4sZw!o!k1X%sSC+qjpHA7y-rUm03 z3iC>&AFfC$;B)wIF}zlIi1qS{iL`QIN-!ZpU#8$o4&B?Eq=iPB6b-976hy3SOU7Rj z)dZL>Lz=aM6M}9hhg~s#okDK2<02T{Bm1hBm$C^Y5sXhL$dEV_&1g zw5XNjoRN7Dh^=*DxGu^~5c7*ozR+#t$vtl+fv{)>y5 z_k(_5vAj`chYyk%CykD_NWY$ww!yZYjCV;B7g@necvokcPHeTYPZgj={^%J!-s_p3 z8z)<*yf;s)re|+om@RmvF7}k-O3FK`*%kSnX>KNspuGS_4u&hnwiwEK?90WP#^&h^ zj0R?5!}!yB(Y&aa?(aldBGFw<`1_bfq}0;!oGowg*UIiFQsUjQH9YC&airn8WGwbN 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zvRM>En_sK2UVAWeM4yIrixULCy-IKvtYJ`>E9BQ!Q*KP?%w1TO^6+YPS?07lbdq0o_LR~| J{BeUj{||z7MtT4M literal 0 HcmV?d00001 From e469a4b3f827c3e07a9590dd17d1e10a2542baa7 Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sat, 19 Jul 2025 23:55:57 +0000 Subject: [PATCH 48/49] Final tweaks --- docs/nextflow_run/00_orientation.md | 4 +- docs/nextflow_run/02_pipeline.md | 4 + docs/nextflow_run/03_config.md | 141 +++++++++++++++--- .../nextflow_run/img/hello-pipeline-cowpy.svg | 4 +- .../img/hello-pipeline-multi-inputs.svg | 4 +- .../img/hello-pipeline-multi-steps.svg | 4 +- 6 files changed, 135 insertions(+), 26 deletions(-) diff --git a/docs/nextflow_run/00_orientation.md b/docs/nextflow_run/00_orientation.md index 50b74ebda..124840a73 100644 --- a/docs/nextflow_run/00_orientation.md +++ b/docs/nextflow_run/00_orientation.md @@ -61,7 +61,7 @@ If you run this inside `nextflow-run`, you should see the following output: │ ├── cowpy.nf │ └── sayHello.nf ├── nextflow.config -└── test-params.json +└── test-params.yaml 1 directory, 12 files ``` @@ -75,6 +75,6 @@ If you run this inside `nextflow-run`, you should see the following output: - **The file `greetings.csv`** contains input data we'll use in most of the course. It is described in Part 2, when we introduce it for the first time. -- **The file `test-params.json`** is a file we'll use in Part 3. You can ignore it for now. +- **The file `test-params.yaml`** is a file we'll use in Part 3. You can ignore it for now. **Now, to begin the course, click on the arrow in the bottom right corner of this page.** diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index 5bf9282d2..bc770c2c9 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -604,6 +604,10 @@ So far, all the workflows we've looked at have consisted of one single workflow However, real-world pipelines typically benefit from being _modularized_, meaning that the code is split into different files. This can make their development and maintenance more efficient and sustainable. +
+ --8<-- "docs/side_quests/img/nf-core/nested.excalidraw.svg" +
+ Here we are going to demonstrate the most common form of code modularity in Nextflow, which is the use of **modules**. In Nextflow, a **module** is a single process definition that is encapsulated by itself in a standalone code file. diff --git a/docs/nextflow_run/03_config.md b/docs/nextflow_run/03_config.md index 820e606e5..751adffb7 100644 --- a/docs/nextflow_run/03_config.md +++ b/docs/nextflow_run/03_config.md @@ -401,7 +401,7 @@ Open the `nextflow.config` file and add the following lines to it: /* * Pipeline parameters */ -params.input = '../greetings.csv' +params.input = 'greetings.csv' params.character = 'turkey' ``` @@ -443,9 +443,13 @@ This will produce the same output, but is more convenient to type, especially wh ```console linenums="1" N E X T F L O W ~ version 25.04.3 -Launching `3-main.nf` [] DSL2 - revision: bc8e1b2726 +Launching `3-main.nf` [wise_mahavira] DSL2 - revision: 356df0818d -UPDATE OUTPUT +executor > local (8) +[2e/d12fcb] sayHello (2) [100%] 3 of 3 ✔ +[a0/5799b6] convertToUpper (3) [100%] 3 of 3 ✔ +[db/d3bbb6] collectGreetings [100%] 1 of 1 ✔ +[a9/f75d13] cowpy [100%] 1 of 1 ✔ ```
@@ -456,7 +460,33 @@ The final output file should contain the turkey character saying the greetings. File contents ```console title="results/cowpy-COLLECTED-output.txt" -UPDATE WITH TURKEY + _________ +/ HELLO \ +| BONJOUR | +\ HOLà / + --------- + \ ,+*^^*+___+++_ + \ ,*^^^^ ) + \ _+* ^**+_ + \ +^ _ _++*+_+++_, ) + _+^^*+_ ( ,+*^ ^ \+_ ) + { ) ( ,( ,_+--+--, ^) ^\ + { (\@) } f ,( ,+-^ __*_*_ ^^\_ ^\ ) + {:;-/ (_+*-+^^^^^+*+*<_ _++_)_ ) ) / + ( / ( ( ,___ ^*+_+* ) < < \ + U _/ ) *--< ) ^\-----++__) ) ) ) + ( ) _(^)^^)) ) )\^^^^^))^*+/ / / + ( / (_))_^)) ) ) ))^^^^^))^^^)__/ +^^ + ( ,/ (^))^)) ) ) ))^^^^^^^))^^) _) + *+__+* (_))^) ) ) ))^^^^^^))^^^^^)____*^ + \ \_)^)_)) ))^^^^^^^^^^))^^^^) + (_ ^\__^^^^^^^^^^^^))^^^^^^^) + ^\___ ^\__^^^^^^))^^^^^^^^)\\ + ^^^^^\uuu/^^\uuu/^^^^\^\^\^\^\^\^\^\ + ___) >____) >___ ^\_\_\_\_\_\_\) + ^^^//\\_^^//\\_^ ^(\_\_\_\) + ^^^ ^^ ^^^ ^ + ```
@@ -479,12 +509,12 @@ cd tux-run Then, create a blank configuration file in that directory: ```bash -touch tux-run/nextflow.config +touch nextflow.config ``` Now open the new file and add the parameters you want to customize: -```groovy title="tux-run/nextflow.config +```groovy title="tux-run/nextflow.config" linenums="1" params.input = '../greetings.csv' params.character = 'tux' ``` @@ -497,14 +527,21 @@ We can now run our pipeline from within our new working directory: nextflow run ../3-main.nf ``` -This will create a completely new set of directories under `tux-run/` including `tux-run/work/` and `tux-run/results/`. +This will create a new set of directories under `tux-run/` including `tux-run/work/` and `tux-run/results/`.
Command output ```console linenums="1" + N E X T F L O W ~ version 25.04.3 + +Launching `../3-main.nf` [trusting_escher] DSL2 - revision: 356df0818d -UPDATE OUTPUT +executor > local (8) +[59/b66913] sayHello (2) [100%] 3 of 3 ✔ +[ad/f06364] convertToUpper (3) [100%] 3 of 3 ✔ +[10/714895] collectGreetings [100%] 1 of 1 ✔ +[88/3ece98] cowpy [100%] 1 of 1 ✔ ```
@@ -517,7 +554,21 @@ The final output file should contain the tux character saying the greetings. File contents ```console title="results/cowpy-COLLECTED-output.txt" -UPDATE WITH TUX + _________ +/ HELLO \ +| BONJOUR | +\ HOLà / + --------- + \ + \ + .--. + |o_o | + |:_/ | + // \ \ + (| | ) + /'\_ _/`\ + \___)=(___/ + ```
@@ -530,6 +581,8 @@ Make sure to change back to the previous directory before moving to the next sec cd .. ``` +Now let's look at another useful way to set parameter values. + ### 4.3. Specify parameters using a parameter file Nextflow also allows us to specify parameters via a parameter file in either YAML or JSON format. @@ -724,7 +777,7 @@ profiles { } test { params.input = 'greetings.csv' - params.character = 'cow' + params.character = 'turtle' } } ``` @@ -764,7 +817,35 @@ executor > local (8)
- +The final output file should contain the turtle character saying the greetings. + +
+ File contents + +```console title="results/cowpy-COLLECTED-output.txt" + _________ +/ BONJOUR \ +| HOLà | +\ HELLO / + --------- + \ ___-------___ + \ _-~~ ~~-_ + \ _-~ /~-_ + /^\__/^\ /~ \ / \ + /| O|| O| / \_______________/ \ + | |___||__| / / \ \ + | \ / / \ \ + | (_______) /______/ \_________ \ + | / / \ / \ + \ \^\\ \ / \ / + \ || \______________/ _-_ //\__// + \ ||------_-~~-_ ------------- \ --/~ ~\ || __/ + ~-----||====/~ |==================| |/~~~~~ + (_(__/ ./ / \_\ \. + (_(___/ \_____)_) +``` + +
This means that as long as we distribute any test data files with the workflow code, anyone can quickly try out the workflow without having to supply their own inputs via the command line or a parameter file. @@ -788,7 +869,7 @@ This allows you to find out what settings will be used without having to launch #### 5.5.1. Resolve the default configuration -Run this command to resolve the configuration given only parameters applied by default. +Run this command to resolve the configuration that would be applied by default. ```bash nextflow config @@ -798,6 +879,14 @@ nextflow config Command output ```groovy +docker { + enabled = false +} + +conda { + enabled = true +} + process { memory = '1 GB' withName:cowpy { @@ -805,6 +894,11 @@ process { cpus = 2 } } + +params { + input = 'greetings.csv' + character = 'turkey' +} ```
@@ -821,6 +915,14 @@ nextflow config -profile my_laptop,test Command output ```groovy +docker { + enabled = true +} + +conda { + enabled = true +} + process { memory = '1 GB' withName:cowpy { @@ -830,13 +932,9 @@ process { executor = 'local' } -docker { - enabled = true -} - params { - greeting = 'greetings.csv' - character = 'turkey' + input = 'greetings.csv' + character = 'turtle' } ``` @@ -853,3 +951,10 @@ More generally, you know how to configure your workflow executions to suit diffe Give yourself a big pat on the back! You know everything you need to know to get started running and managing Nextflow pipelines. + +That concludes this course, but if you're eager to keep learning, we have two main recommendations: + +- If you want to dig deeper into developing your own pipelines, have a look at [Hello Nextflow](../hello_nextflow/index.md), a course for beginners that covers the same general progression as this one but goes into much more detail about channels and operators. +- If you would like to continue learning how to run Nextflow pipelines without going deeper into the code, have a look at the first part of [Hello nf-core](../hello_nf-core/index.md), which introduces the tooling for finding and running pipelines from the hugely popular [nf-core](https://nf-co.re/) project. + +Have fun! diff --git a/docs/nextflow_run/img/hello-pipeline-cowpy.svg b/docs/nextflow_run/img/hello-pipeline-cowpy.svg index be4b89fb4..09d97af72 100644 --- a/docs/nextflow_run/img/hello-pipeline-cowpy.svg +++ b/docs/nextflow_run/img/hello-pipeline-cowpy.svg @@ -1,5 +1,5 @@ COLLECTED-output.txtHELLOBONJOURHOLAcowPycowpy-COLLECTED-output.txt ________/ HOLA \| HELLO |\ BONJOUR / -------- \ ^__^ \ (oo)\_______ (__)\ )\/\ ||----w | || || \ No newline at end of file + @font-face { font-family: Excalifont; src: 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}COLLECTED-output.txtHELLOBONJOURHOLàcowPycowpy-COLLECTED-output.txt ________/ HOLà \| HELLO |\ BONJOUR / -------- \ ^__^ \ (oo)\_______ (__)\ )\/\ ||----w | || || \ No newline at end of file diff --git a/docs/nextflow_run/img/hello-pipeline-multi-inputs.svg b/docs/nextflow_run/img/hello-pipeline-multi-inputs.svg index 088bd13a0..9da92c273 100644 --- a/docs/nextflow_run/img/hello-pipeline-multi-inputs.svg +++ b/docs/nextflow_run/img/hello-pipeline-multi-inputs.svg @@ -1,4 +1,4 @@ -sayHello*-output.txtHelloBonjourHolaHello,English,123 Bonjour,French,456Hola,Spanish,789greetings.csvHello-output.txtBonjour-output.txtHola-output.txt \ No newline at end of file +sayHello*-output.txtHelloBonjourHolàHello,English,123 Bonjour,French,456Hola,Spanish,789greetings.csvHello-output.txtBonjour-output.txtHolà-output.txt \ No newline at end of file diff --git a/docs/nextflow_run/img/hello-pipeline-multi-steps.svg b/docs/nextflow_run/img/hello-pipeline-multi-steps.svg index 6ff9464ac..5ff553a30 100644 --- a/docs/nextflow_run/img/hello-pipeline-multi-steps.svg +++ b/docs/nextflow_run/img/hello-pipeline-multi-steps.svg @@ -1,4 +1,4 @@ -sayHello*-output.txtconvertToUpperUPPER-*collectGreetingsCOLLECTED-output.txtHELLOBONJOURHOLAHello,English,123 Bonjour,French,456Hola,Spanish,789greetings.csvHELLOBONJOURHOLAUPPER-Hello-output.txtUPPER-Bonjour-output.txtUPPER-Hola-output.txt \ No newline at end of file +sayHello*-output.txtconvertToUpperUPPER-*collectGreetingsCOLLECTED-output.txtHELLOBONJOURHOLàHello,English,123 Bonjour,French,456Holà,Spanish,789greetings.csvHELLOBONJOURHOLàUPPER-Hello-output.txtUPPER-Bonjour-output.txtUPPER-Holà-output.txt \ No newline at end of file From 9b50d3a815f478ba2a01dce0700f214f91773fdd Mon Sep 17 00:00:00 2001 From: Geraldine Van der Auwera Date: Sun, 20 Jul 2025 00:06:35 +0000 Subject: [PATCH 49/49] one more fix --- docs/nextflow_run/02_pipeline.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/nextflow_run/02_pipeline.md b/docs/nextflow_run/02_pipeline.md index bc770c2c9..2d193e516 100644 --- a/docs/nextflow_run/02_pipeline.md +++ b/docs/nextflow_run/02_pipeline.md @@ -1045,7 +1045,7 @@ nextflow config ```json title="nextflow.config" linenums="1" docker { - enabled = false + enabled = true } ```