Optimize added hydrogens positions #143
Workflow file for this run
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| name: Validation | |
| on: [pull_request, workflow_dispatch] | |
| permissions: | |
| contents: read | |
| pull-requests: read | |
| jobs: | |
| validation: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 10 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.13"] | |
| steps: | |
| - name: Checkout source | |
| uses: actions/checkout@v4 | |
| - name: Setup Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install uv | |
| uses: astral-sh/setup-uv@v3 | |
| - name: Cache for pre-commit | |
| uses: actions/cache@v4 | |
| with: | |
| path: ~/.cache/pre-commit | |
| key: ${{ runner.os }}-pre-commit-${{ hashFiles('.pre-commit-config.yaml') }} | |
| restore-keys: | | |
| ${{ runner.os }}-pre-commit- | |
| - name: Install dependencies | |
| run: | | |
| uv sync --group dev --group test | |
| - name: Run pre-commit hooks | |
| run: uv run pre-commit run --all-files --show-diff-on-failure --color=always | |
| - name: Summary | |
| if: always() | |
| run: echo "Pre-commit validation completed for Python ${{ matrix.python-version }}" |