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[codeql-analysis.yml]: Update
Install python-dev-tools, Cython <3.0 and numpy >=1.19.2 before installing MDTools, because MDAnalysis requires NumPy >=1.19.2 for setup (see also MDAnalysis/mdanalysis#3374 (comment)) and MDAnalysis <3.0 requires Cython <3.0 (see MDAnalysis/mdanalysis#4129 and cython/cython#3690).
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.github/workflows/codeql-analysis.yml

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@@ -53,7 +53,18 @@ jobs:
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${{ runner.os }}-${{ matrix.python-version }}
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${{ runner.os }}
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- name: "Install/Upgrade setuptools and wheel"
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run: "python -m pip install --user --upgrade setuptools wheel"
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# MDAnalysis requires NumPy (>=1.19.2) for setup (see also
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# https://github.com/MDAnalysis/mdanalysis/issues/3374#issuecomment-889189979).
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# MDAnalysis <3.0 requires Cython <3.0 (see
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# https://github.com/MDAnalysis/mdanalysis/pull/4129 and
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# https://github.com/cython/cython/issues/3690).
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# Strangely, without `python-dev-tools` the installation of
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# MDAnalysis might fail while building the wheel.
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run: |
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python -m pip install --user --upgrade setuptools wheel
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python -m pip install --user --upgrade python-dev-tools
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python -m pip install --user "Cython <3.0"
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python -m pip install --user "numpy >=1.19.2"
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- name: "Install/Upgrade requirements of MDTools"
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run: |
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python -m pip install --user --upgrade -r requirements.txt

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