add ruff changes to hydrogen orient #299
Workflow file for this run
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| name: PUSH | |
| on: [push] | |
| jobs: | |
| build: | |
| runs-on: [ubuntu-latest] | |
| strategy: | |
| matrix: | |
| python-version: ["3.9","3.10","3.11","3.12"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Create Python Environment | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| environment-file: .github/workflows/envs/environment.yml | |
| channels: conda-forge | |
| activate-environment: test | |
| show-channel-urls: true | |
| miniforge-variant: Mambaforge | |
| use-mamba: true | |
| - name: Check and Conditionally Install PyMOL | |
| shell: bash -l {0} | |
| run: | | |
| PYTHON_VER=${{ matrix.python-version }} | |
| PYTHON_VER=${PYTHON_VER//./} # Remove the dot from the Python version | |
| if mamba search -c conda-forge pymol-open-source | grep -q "py${PYTHON_VER}"; then | |
| mamba install -c conda-forge pymol-open-source=2.5.0 | |
| fi | |
| - name: Install package | |
| shell: bash -l {0} | |
| run: | | |
| pip install -e . | |
| - name: Test with pytest | |
| shell: bash -l {0} | |
| run: | | |
| which python | |
| python -m pip install pytest | |
| pytest |