Writes PRD code for chem_comp in CIF and PRDCC code for filename (#20) #145
Workflow file for this run
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| # This workflow will install Python dependencies, run pytests | |
| name: ccdutils tests | |
| on: push | |
| jobs: | |
| pytest: | |
| name: Run unit tests | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| with: | |
| persist-credentials: false | |
| - name: Set up python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.10" | |
| - run: | | |
| pip install rdkit | |
| pip install -e ".[tests]" | |
| pip install pre-commit | |
| pre-commit install && pre-commit run --all | |
| - run: pytest --cov=pdbeccdutils |