[pre-commit.ci] pre-commit autoupdate #148
Workflow file for this run
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| # This is a basic workflow to help you get started with Actions | |
| name: CI | |
| # Controls when the action will run. | |
| on: | |
| # Triggers the workflow on push or pull request events but only for the main branch | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| branches: [ main ] | |
| # Allows you to run this workflow manually from the Actions tab | |
| workflow_dispatch: | |
| # A workflow run is made up of one or more jobs that can run sequentially or in parallel | |
| jobs: | |
| test_and_doc: | |
| # The type of runner that the job will run on | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [ubuntu-latest, macos-latest, windows-latest] | |
| python-version: [3.9, 3.13] | |
| steps: | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Getting repository | |
| uses: actions/checkout@v4 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install -e ".[test]" | |
| - name: Pre-cache matplotlib font (cross-platform) | |
| run: | | |
| python -c "import os; os.environ['MPLBACKEND']='Agg'; import matplotlib.pyplot" | |
| - name: Run AlphaFold3 Alignment notebook | |
| run: | | |
| python -m pytest --nbval notebooks/AFold_Alignment_CPU.ipynb tests/afold_alignment_output.py | |
| - name: Run AlphaFold3 Inference notebook | |
| run: | | |
| python -m pytest --nbval notebooks/AFold_Diffusion_GPU.ipynb tests/afold_diffusion_output.py | |
| - name: Run AlphaFold3 Analysis notebook | |
| run: | | |
| python -m pytest tests/afold_prepare_analysis.py --nbval notebooks/AFold_Confidence_Levels.ipynb | |
| - name: Run Bindcraft notebook | |
| run: | | |
| python -m pytest --nbval notebooks/bindcraft.ipynb tests/bindcraft_output.py | |
| - name: Run Boltz Inference notebook | |
| run: | | |
| python -m pytest --nbval tests/boltz_prepare_run.py notebooks/Boltz_w_mmseqs.ipynb tests/boltz_output.py | |
| - name: Run Boltz Analysis notebook | |
| run: | | |
| python -m pytest tests/boltz_prepare_analysis.py --nbval notebooks/boltz_confidence_levels.ipynb | |
| - name: Run Boltzgen | |
| run: | | |
| python -m pytest --nbval notebooks/boltzgen.ipynb tests/boltzgen_output.py | |
| - name: Run RFDiffusion | |
| run: | | |
| python -m pytest --nbval notebooks/RFDiffusion.ipynb tests/rfdiffusion_output.py | |