Integration of waterEntropy into CodeEntropy
#30
Workflow file for this run
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| name: CodeEntropy CI | |
| on: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| schedule: | |
| - cron: '0 8 * * 1' | |
| jobs: | |
| tests: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 30 | |
| strategy: | |
| matrix: | |
| python-version: ["3.11", "3.12", "3.13"] | |
| name: Run tests | |
| steps: | |
| - name: Checkout repo | |
| uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install CodeEntropy and its testing dependencies | |
| run: pip install -e .[testing] | |
| - name: Run test suite | |
| run: pytest --cov CodeEntropy --cov-report term-missing --cov-append . | |
| - name: Coveralls GitHub Action | |
| uses: coverallsapp/github-action@v2.3.6 | |
| with: | |
| github-token: ${{ secrets.GITHUB_TOKEN }} | |
| docs: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.12 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: 3.12 | |
| - name: Install python dependencies | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[docs] | |
| - name: Build docs | |
| run: cd docs && make | |
| pre-commit: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.11 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: 3.11 | |
| - name: Install python dependencies | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[pre-commit,docs,testing] | |
| - name: Run pre-commit | |
| run: | | |
| pre-commit install | |
| pre-commit run --all-files || ( git status --short ; git diff ; exit 1 ) | |
| mdanalysis-compatibility: | |
| if: github.event_name == 'schedule' | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| strategy: | |
| matrix: | |
| python-version: ["3.11", "3.12", "3.13"] | |
| mdanalysis-version: ["2.7.0", "2.8.0", "2.9.0", "latest"] | |
| name: MDAnalysis Compatibility Tests | |
| steps: | |
| - name: Checkout repo | |
| uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies with MDAnalysis ${{ matrix.mdanalysis-version }} | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[testing] | |
| if [ "${{ matrix.mdanalysis-version }}" = "latest" ]; then | |
| pip install MDAnalysis | |
| else | |
| pip install "MDAnalysis==${{ matrix.mdanalysis-version }}" | |
| fi | |
| - name: Run compatibility tests | |
| run: pytest --cov CodeEntropy --cov-report=term-missing --cov-append | |
| - name: Create Issue on Failure | |
| if: failure() | |
| uses: JasonEtco/create-an-issue@v2 | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| PYTHON_VERSION: ${{ matrix.python-version }} | |
| MDA_VERSION: ${{ matrix.mdanalysis-version }} | |
| RUN_NUMBER: ${{ github.run_number }} | |
| RUN_URL: ${{ github.server_url }}/${{ github.repository }}/actions/runs/${{ github.run_id }} | |
| with: | |
| filename: .github/mdanalysis-compatibility-failure.md | |
| update_existing: true | |
| search_existing: open |