Bump actions/setup-python from 4 to 5 #512
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| # This workflow will install Python dependencies, run tests and lint with a variety of Python versions | |
| # For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions | |
| name: Tests | |
| on: | |
| push: | |
| branches: | |
| - master | |
| pull_request: | |
| workflow_dispatch: | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.head_ref || github.run_id }} | |
| cancel-in-progress: true | |
| defaults: | |
| run: | |
| shell: bash | |
| jobs: | |
| build: | |
| name: ${{ matrix.os }} (py ${{ matrix.version }}${{ matrix.special }}) | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-latest, windows-latest] | |
| version: ["3.7", "3.8", "3.9", "3.10", "3.11"] | |
| special: [""] | |
| conda: [false] | |
| include: | |
| - os: ubuntu-latest | |
| special: "; pre-release" | |
| version: "3.11" | |
| conda: false | |
| - os: ubuntu-20.04 | |
| special: "; minimum version" | |
| version: "3.6" | |
| conda: true | |
| - os: ubuntu-20.04 | |
| special: "" | |
| version: "3.6" | |
| conda: false | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup Conda | |
| if: matrix.conda == true | |
| uses: s-weigand/setup-conda@v1 | |
| with: | |
| update-conda: false | |
| - name: Set up Python | |
| if: matrix.conda == false | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.version }} | |
| - name: Install dependencies | |
| run: | | |
| case "${{ matrix.special }}" in | |
| "; minimum version") | |
| conda create -n test -c conda-forge python=${{ matrix.version }} rdkit==2018.03.1 numpy=1.15.0 pandas=0.23.0 h5py=2.7.0 scipy=0.19.1 contextlib2==0.6.0 typing-extensions==3.7.4.3 pytest==5.4.0 pyyaml=5.1.0 packaging==16.8 pytest-cov pytest-mock "pip<22" | |
| source $CONDA/bin/activate test | |
| pip install schema==0.7.2 Nano-Utils==0.4.3 AssertionLib==2.2.3 plams==1.5.1 qmflows==0.11.0 | |
| pip install -e . --no-dependencies | |
| ;; | |
| "; pre-release") | |
| pip install -e .[test] --pre --upgrade --force-reinstall | |
| pip install git+https://github.com/nlesc-nano/data-CAT@master --upgrade | |
| pip install git+https://github.com/nlesc-nano/nano-CAT@master --upgrade | |
| pip install git+https://github.com/nlesc-nano/auto-FOX@master --upgrade | |
| pip install git+https://github.com/SCM-NV/qmflows@master --upgrade | |
| pip uninstall plams -y; pip install git+https://github.com/SCM-NV/PLAMS@master --upgrade | |
| ;; | |
| *) | |
| pip install -e .[test] | |
| ;; | |
| esac | |
| - name: Info Conda | |
| if: matrix.conda == true | |
| run: | | |
| source $CONDA/bin/activate test | |
| conda info | |
| - name: Info Python | |
| run: | | |
| case "${{ matrix.conda }}" in | |
| true) | |
| source $CONDA/bin/activate test ;; | |
| esac | |
| which python | |
| python --version | |
| - name: Info installed packages | |
| run: | | |
| case "${{ matrix.conda }}" in | |
| true) | |
| conda list -n test ;; | |
| *) | |
| pip list ;; | |
| esac | |
| - name: Run tests | |
| run: | | |
| case "${{ matrix.conda }}" in | |
| true) | |
| source $CONDA/bin/activate test ;; | |
| esac | |
| pytest -m "not slow" | |
| - name: Run codecov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| file: ./coverage.xml | |
| name: codecov-umbrella | |
| Linting: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python on ubuntu-latest | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.x' | |
| - name: Install linters | |
| run: | | |
| pip install "flake8>=3.8.0" "pydocstyle>=5.0.0" | |
| pip install -e . | |
| pip install mypy nano-CAT data-CAT types-PyYAML types-setuptools "numpy>=1.21" | |
| - name: Python info | |
| run: | | |
| which python | |
| python --version | |
| - name: Installed packages | |
| run: pip list | |
| - name: Run flake8 | |
| run: flake8 CAT tests | |
| - name: Run pydocstyle | |
| run: pydocstyle CAT tests | |
| - name: Run mypy | |
| run: mypy CAT | |
| continue-on-error: true |