CI tests against the released OpenMM #80
Workflow file for this run
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| name: PDBFixer Continuous Integration Workflow | |
| on: | |
| push: | |
| branches: | |
| - master | |
| pull_request: | |
| branches: | |
| - master | |
| jobs: | |
| build_test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ["3.10", "3.11", "3.12"] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| name: "Checkout the source code" | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| name: "Prepare base dependencies" | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| activate-environment: pdbfixer-dev | |
| environment-file: devtools/environment-dev.yaml | |
| - name: "Install PDBFixer" | |
| shell: bash -l {0} | |
| run: | | |
| which python | |
| python -V | |
| pip install -e . | |
| pytest -vs pdbfixer |