eval: script for classifying conformational changes #156
Workflow file for this run
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| name: GPU Tests | |
| on: | |
| push: | |
| branches: [main] | |
| paths: | |
| - 'src/**' | |
| - 'tests/**' | |
| - 'pyproject.toml' | |
| - 'pixi.lock' | |
| - '.github/workflows/gpu-tests.yml' | |
| pull_request_target: | |
| branches: [main] | |
| paths: | |
| - 'src/**' | |
| - 'tests/**' | |
| - 'pyproject.toml' | |
| - 'pixi.lock' | |
| - '.github/workflows/gpu-tests.yml' | |
| workflow_dispatch: | |
| concurrency: | |
| group: gpu-tests-${{ github.event.pull_request.number || github.ref }} | |
| cancel-in-progress: true | |
| jobs: | |
| gpu-tests: | |
| runs-on: gpu-1 | |
| timeout-minutes: 30 | |
| environment: gpu-testing | |
| permissions: | |
| contents: read | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| environment: [boltz-dev, protenix-dev, rf3-dev] | |
| name: ${{ matrix.environment }} | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@34e114876b0b11c390a56381ad16ebd13914f8d5 # v4 | |
| with: | |
| # pull_request_target checks out the base branch by default. We need | |
| # the PR head to actually test PR code. This runs untrusted code on | |
| # gpu-1, mitigated by: environment approval gate (gpu-testing), | |
| # read-only token (contents: read), and reviewer sign-off before any | |
| # steps execute. Reviewers: validate security-sensitive changes before | |
| # approving. | |
| ref: ${{ github.event.pull_request.head.sha || github.sha }} | |
| - name: Install pixi | |
| uses: prefix-dev/setup-pixi@19eac09b398e3d0c747adc7921926a6d802df4da # v0.8.8 | |
| with: | |
| cache: false # NFS-backed cache on self-hosted runner handles this | |
| - name: Build CUDA extensions | |
| run: pixi run -e ${{ matrix.environment }} python3 -c "from sampleworks.core.forward_models.xray.real_space_density_deps.ops.csrc import dilate_points_cuda" | |
| - name: Run tests | |
| run: pixi run -e ${{ matrix.environment }} gpu-tests |