Restore missing constant and fix CI/CD linting errors #15
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| name: Python CI | |
| on: | |
| push: | |
| branches: [ "main" ] | |
| pull_request: | |
| branches: [ "main" ] | |
| jobs: | |
| lint-and-test: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.10" | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install ruff black | |
| pip install -e . | |
| - name: Lint with ruff | |
| run: | | |
| ruff check . | |
| - name: Check formatting with black | |
| run: | | |
| black --check . | |
| - name: Basic CLI Test | |
| run: | | |
| colabmda --help | |
| colabmda openmm --help | |
| colabmda modeller --help |