proteus/.github/workflows/ci.yml at main · jvogan/proteus · GitHub

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name: CI

on:
  push:
    branches: ["main"]
  pull_request:

permissions:
  contents: read

jobs:
  test:
    name: Python ${{ matrix.python-version }}
    runs-on: ubuntu-latest
    strategy:
      fail-fast: false
      matrix:
        python-version: ["3.10", "3.11", "3.12", "3.13"]
    steps:
      - name: Check out repository
        uses: actions/checkout@v6

      - name: Set up Python
        uses: actions/setup-python@v6
        with:
          python-version: ${{ matrix.python-version }}

      - name: Compile scripts
        run: python -m py_compile scripts/*.py tests/test_scripts.py

      - name: Run tests
        run: python -m unittest -v

      - name: Verify installable skill package parity
        run: python scripts/sync_skill_package.py --check --json

      - name: JSON smoke checks
        run: |
          python scripts/proteus_doctor.py --json | python -m json.tool >/dev/null
          python scripts/resolve_structure.py tests/fixtures/tiny.pdb --json | python -m json.tool >/dev/null
          python scripts/pae_report.py tests/fixtures/tiny_pae.json --json | python -m json.tool >/dev/null
          python scripts/pocket_report.py tests/fixtures/tiny.pdb --json | python -m json.tool >/dev/null
          python scripts/proteus.py qc tests/fixtures/tiny.pdb --json | python -m json.tool >/dev/null