Bump actions/upload-artifact from 3 to 4 #816
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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 | |
| env: | |
| PY_COLORS: '1' | |
| CP2K_VERSION: '2023.1' | |
| 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: ['3.8', '3.9', '3.10', '3.11'] | |
| special: [''] | |
| include: | |
| - os: ubuntu-latest | |
| special: '; pre-release' | |
| version: '3.11' | |
| - os: ubuntu-latest | |
| special: '; minimum version' | |
| version: '3.8' | |
| env: | |
| CP2K_DATA_DIR: /usr/share/cp2k/data | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - name: Set up Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.version }} | |
| - name: Install CP2K | |
| if: matrix.os == 'ubuntu-latest' | |
| run: | | |
| curl -Lsf "https://github.com/cp2k/cp2k/releases/download/v${CP2K_VERSION}/cp2k-${CP2K_VERSION}-Linux-gnu-x86_64.ssmp" -o /usr/local/bin/cp2k.ssmp | |
| chmod u+rx /usr/local/bin/cp2k.ssmp | |
| - name: Info CP2K | |
| if: matrix.os == 'ubuntu-latest' | |
| run: cp2k.ssmp --version | |
| - name: Install dependencies | |
| run: | | |
| if [[ "${{ matrix.special }}" == '; pre-release' ]]; then | |
| pip install --pre -e .[test-no-optional] --upgrade --force-reinstall | |
| pip install git+https://github.com/SCM-NV/qmflows@master --upgrade | |
| pip install git+https://github.com/SCM-NV/PLAMS@master --upgrade | |
| pip install git+https://github.com/NLeSC/noodles@master --upgrade | |
| elif [[ $SPECIAL"${{ matrix.special }}" == '; minimum version' ]]; then | |
| pip install -r ./test_requirement_min_version.txt | |
| pip install -e .[test-no-optional] | |
| else | |
| pip install -e .[test] | |
| fi | |
| pip install https://github.com/nlesc-nano/auto-FOX-data/releases/download/1.2.0/Auto_FOX_Data-1.2.0-py3-none-any.whl | |
| - name: Info Python | |
| run: | | |
| which python | |
| python --version | |
| - name: Info installed packages | |
| run: pip list | |
| - name: Run tests | |
| run: 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 | |
| with: | |
| fetch-depth: 0 | |
| - name: Set up Python on ubuntu-latest | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.x" | |
| - name: Install linters | |
| run: pip install .[lint] | |
| - name: Python info | |
| run: | | |
| which python | |
| python --version | |
| - name: Installed packages | |
| run: pip list | |
| - name: Run flake8 | |
| run: flake8 FOX tests | |
| - name: Run pydocstyle | |
| run: pydocstyle FOX |