[pre-commit.ci] auto fixes from pre-commit.com hooks #77
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| name: Benchmark | |
| on: | |
| - push | |
| - pull_request | |
| jobs: | |
| benchmark: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: 3.12 | |
| - uses: astral-sh/setup-uv@v3 | |
| with: | |
| enable-cache: true | |
| cache-dependency-glob: | | |
| **/requirements*.txt | |
| **/pyproject.toml | |
| - name: Install dependencies | |
| run: uv pip install --system .[test,amber,ase,pymatgen,benchmark] rdkit openbabel-wheel | |
| - name: Run benchmarks | |
| uses: CodSpeedHQ/action@v3 | |
| with: | |
| token: ${{ secrets.CODSPEED_TOKEN }} | |
| run: pytest benchmark/ --codspeed |