aiida-chemshell/.github/workflows/ci-testing.yml at ea827319c8e6953fc9cc02d71477788f204a883d · stfc/aiida-chemshell · GitHub

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name: ci-testing

on:
  push:
    branches:
      - main
  pull_request:
    branches:
      - main

jobs:

  style-check:
      runs-on: ubuntu-latest
      steps:
        - name: Checkout Repository
          uses: actions/checkout@v4

        - name: Setup Python
          uses: actions/setup-python@v5
          with:
            python-version: "3.12"

        - name: Install requirements
          run: |
            python -m pip install --upgrade pip
            pip install ruff

        - name: Run the linter
          run: ruff check

        - name: Run the format checker
          run: ruff format --check

  pytest-quick:
      runs-on: ubuntu-latest
      strategy:
        matrix:
          python-version: ["3.10", "3.11", "3.12"]
      steps:
        - name: Checkout Repo
          uses: actions/checkout@v4

        - name: Setup Python ${{ matrix.python-version }}
          uses: actions/setup-python@v5
          with:
            python-version: ${{ matrix.python-version }}

        - name: Install the package and requirements
          run: |
            python -m pip install --upgrade pip
            pip install .[dev]

        - name: Run the basic test suite without coverage
          run: pytest tests/test_inputs.py tests/test_error_codes.py

  pytest-full:
    runs-on: ubuntu-latest
    strategy:
        matrix:
          python-version: ["3.10", "3.11", "3.12"]
    permissions:
      contents: read
      packages: read
    steps:
      - name: Checkout Repo
        uses: actions/checkout@v4

      - name: Setup Python 3.12
        uses: actions/setup-python@v5
        with:
          python-version: "3.12"

      - name: Log in to GitHub Container Registry
        uses: docker/login-action@v3
        with:
          registry: ghcr.io
          username: ${{ github.actor }}
          password: ${{ secrets.GITHUB_TOKEN }}

      - name: Pull the ChemShell testing container
        run: docker pull ghcr.io/stfc/aiidalab-chemshell/chemsh:latest

      - name: Run the test suite with coverage
        if: contains(matrix.python-version, '3.12')
        run: |
          pip install .[dev]
          pytest -n auto --cov=aiida-chemshell --cov-report=xml:coverage.xml

      - name: Run the test suite without coverage
        if:  ${{ !contains(matrix.python-version, '3.12') }}
        run: pytest -n auto

      - name: Report coverage to Coveralls
        if: contains(matrix.python-version, '3.12')
        uses: coverallsapp/github-action@v2
        with:
          file: coverage.xml
          base-path: aiida_chemshell
          fail-on-error: false