Feature: Implementations of Range-Separated Hybrid Functionals #12438
Workflow file for this run
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name: Integration Test and Unit Test | |
on: | |
pull_request: | |
concurrency: | |
group: ${{ github.workflow }}-${{ github.ref }} | |
cancel-in-progress: true | |
jobs: | |
test: | |
name: Test | |
runs-on: X64 | |
if: github.repository_owner == 'deepmodeling' | |
container: | |
image: ghcr.io/deepmodeling/abacus-gnu | |
volumes: | |
- /tmp/ccache:/github/home/.ccache | |
steps: | |
- name: Checkout | |
uses: actions/checkout@v4 | |
with: | |
submodules: recursive | |
fetch-depth: 0 | |
- name: Install CI tools | |
run: | | |
sudo apt-get update | |
sudo apt-get install -y ccache ca-certificates python-is-python3 python3-pip | |
sudo pip install clang-format clang-tidy | |
- name: Configure | |
run: | | |
cmake -B build -DBUILD_TESTING=ON -DENABLE_DEEPKS=ON -DENABLE_MLKEDF=ON -DENABLE_LIBXC=ON -DENABLE_LIBRI=ON -DENABLE_PAW=ON -DENABLE_GOOGLEBENCH=ON -DENABLE_RAPIDJSON=ON -DCMAKE_EXPORT_COMPILE_COMMANDS=1 -DENABLE_FLOAT_FFTW=ON | |
# Temporarily removed because no one maintains this now. | |
# And it will break the CI test workflow. | |
# - uses: pre-commit/[email protected] | |
# with: | |
# extra_args: | |
# --from-ref ${{ github.event.pull_request.base.sha }} | |
# --to-ref ${{ github.event.pull_request.head.sha }} | |
# continue-on-error: true | |
# - uses: pre-commit-ci/[email protected] | |
- name: Build | |
run: | | |
cmake --build build -j8 | |
cmake --install build | |
- name: Integrated Tests Preparation | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R integrated_test" | |
- name: Module_Base Unittests | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_BASE" | |
- name: Module_IO Unittests | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_IO" | |
- name: Module_HSolver Unittests | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_HSOLVER" | |
- name: Module_Cell Unittests | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R MODULE_CELL" | |
- name: 01_PW Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 01_PW" | |
- name: 02_NAO_Gamma Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 02_NAO_Gamma" | |
- name: 03_NAO_multik Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 03_NAO_multik" | |
- name: 04_LJ_DP Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 04_LJ_DP" | |
- name: 05_rtTDDFT Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 05_rtTDDFT" | |
- name: 06_SDFT Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 06_SDFT" | |
- name: 07_OFDFT Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 07_OFDFT" | |
- name: 08_EXX Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 08_EXX" | |
- name: 09_DeePKS Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 09_DeePKS" | |
- name: 10_others Test | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -R 10_others" | |
- name: Other Unittests | |
env: | |
GTEST_COLOR: 'yes' | |
OMP_NUM_THREADS: '2' | |
run: | | |
cmake --build build --target test ARGS="-V --timeout 1700 -E 'integrate_test|01_PW|02_NAO_Gamma|03_NAO_multik|04_LJ_DP|05_rtTDDFT|06_SDFT|07_OFDFT|08_EXX|09_DeePKS|10_others|11_PW_GPU|12_NAO_Gamma_GPU|13_NAO_multik_GPU|15_rtTDDFT_GPU|16_SDFT_GPU|MODULE_BASE|MODULE_IO|MODULE_HSOLVER|MODULE_CELL'" |