feat(rewards): add reciprocal-space reward (Fprotein from SFC) #256
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| name: CI | |
| on: | |
| push: | |
| branches: [main] | |
| paths: | |
| - 'src/**' | |
| - 'tests/**' | |
| - 'pyproject.toml' | |
| - 'pixi.lock' | |
| - '.github/workflows/ci.yml' | |
| - '.github/workflows/docker.yml' | |
| - '.pre-commit-config.yaml' | |
| - 'Dockerfile' | |
| - 'Dockerfile.astera' | |
| - 'docker-entrypoint.sh' | |
| - 'run_grid_search.py' | |
| pull_request: | |
| branches: [main] | |
| paths: | |
| - 'src/**' | |
| - 'tests/**' | |
| - 'pyproject.toml' | |
| - 'pixi.lock' | |
| - '.github/workflows/ci.yml' | |
| - '.github/workflows/docker.yml' | |
| - '.pre-commit-config.yaml' | |
| - 'Dockerfile' | |
| - 'Dockerfile.astera' | |
| - 'docker-entrypoint.sh' | |
| - 'run_grid_search.py' | |
| workflow_dispatch: | |
| concurrency: | |
| group: ci-${{ github.ref }} | |
| cancel-in-progress: true | |
| env: | |
| CONDA_OVERRIDE_CUDA: "12" | |
| jobs: | |
| lint: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 10 | |
| permissions: | |
| contents: read | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v4 | |
| - name: Install pixi | |
| uses: prefix-dev/setup-pixi@v0.8.8 | |
| with: | |
| environments: boltz-dev | |
| - name: Ruff lint | |
| run: pixi run -e boltz-dev ruff check . | |
| - name: Ruff format check | |
| run: pixi run -e boltz-dev ruff format --check . | |
| typecheck: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 15 | |
| permissions: | |
| contents: read | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| environment: [boltz-dev, protenix-dev, rf3-dev] | |
| name: typecheck (${{ matrix.environment }}) | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v4 | |
| - name: Install pixi | |
| uses: prefix-dev/setup-pixi@v0.8.8 | |
| with: | |
| environments: ${{ matrix.environment }} | |
| - name: Run ty | |
| run: pixi run -e ${{ matrix.environment }} ty check | |
| cpu-tests: | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 20 | |
| permissions: | |
| contents: read | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| environment: [boltz-dev, protenix-dev, rf3-dev] | |
| name: tests (${{ matrix.environment }}) | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v4 | |
| - name: Install pixi | |
| uses: prefix-dev/setup-pixi@v0.8.8 | |
| with: | |
| environments: ${{ matrix.environment }} | |
| - name: Run CPU tests | |
| run: pixi run -e ${{ matrix.environment }} cpu-tests | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v4 | |
| with: | |
| files: ./coverage.xml | |
| flags: ${{ matrix.environment }} | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| # Don't fail the test job if the Codecov app/token isn't configured yet. | |
| fail_ci_if_error: false |