MDAnalysis Compatibility #7
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| name: MDAnalysis Compatibility | |
| on: | |
| schedule: | |
| - cron: '0 8 * * 1' # Weekly Monday checks | |
| workflow_dispatch: | |
| jobs: | |
| mdanalysis-compatibility: | |
| name: MDAnalysis Compatibility Tests | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [ubuntu-24.04, windows-2025, macos-15] | |
| python-version: ["3.11", "3.12", "3.13", "3.14"] | |
| mdanalysis-version: ["2.10.0"] | |
| steps: | |
| - name: Checkout repo | |
| uses: actions/checkout@8e8c483db84b4bee98b60c0593521ed34d9990e8 # v6 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@83679a892e2d95755f2dac6acb0bfd1e9ac5d548 # v6.1.0 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies with MDAnalysis ${{ matrix.mdanalysis-version }} | |
| run: | | |
| pip install --upgrade pip | |
| pip install -e .[testing] | |
| pip install "MDAnalysis==${{ matrix.mdanalysis-version }}" | |
| - 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@1b14a70e4d8dc185e5cc76d3bec9eab20257b2c5 # 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/workflows/mdanalysis-compatibility-failure.md | |
| update_existing: true | |
| search_existing: open |