python-package.yml

---
name: Python package

on: [push, pull_request]

jobs:
  build:
    runs-on: ubuntu-latest
    env:
      UV_INDEX_GITLAB_USERNAME: ${{ vars.UV_INDEX_GITLAB_USERNAME }}
      UV_INDEX_GITLAB_PASSWORD: ${{ secrets.UV_INDEX_GITLAB_PASSWORD }}
    strategy:
      fail-fast: false
      matrix:
        python-version: ["3.11", "3.12", "3.13"]
    steps:
      - uses: actions/checkout@v4
      - name: Set up Python ${{ matrix.python-version }} and uv
        uses: astral-sh/setup-uv@v7
        with:
          version: "0.9.26"
          python-version: ${{ matrix.python-version }}
      - name: Install dependencies
        run: uv sync --extra simulation
      - run: uvx ruff check --output-format=github .
      - run: uv run mypy ./metafold
      - name: Test with pytest
        run: uv run pytest --junitxml=junit/test-results-${{ matrix.python-version }}.xml ./tests
      - name: Upload pytest test results
        uses: actions/upload-artifact@v4
        with:
          name: pytest-results-${{ matrix.python-version }}
          path: junit/test-results-${{ matrix.python-version }}.xml
        # Use always() to always run this step to publish test results when there are test failures
        if: ${{ always() }}
...