ci.yml

name: ci

on: [push, pull_request]

jobs:

  tests:
    runs-on: ubuntu-latest
    timeout-minutes: 30
    strategy:
      matrix:
        python-version: ['3.9','3.10','3.11','3.12']
        aiida-version: ['stable']

    services:
      postgres:
        image: postgres:10
        env:
          POSTGRES_DB: test_aiida
          POSTGRES_PASSWORD: ''
          POSTGRES_HOST_AUTH_METHOD: trust
        options: >-
          --health-cmd pg_isready
          --health-interval 10s
          --health-timeout 5s
          --health-retries 5
        ports:
          - 5432:5432
      rabbitmq:
        image: rabbitmq:latest
        ports:
          - 5672:5672

    steps:
    - uses: actions/checkout@v4

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

    - name: Install poetry
      run: pipx install poetry

    - name: Install python dependencies
      run: |
        poetry env use ${{ matrix.python-version }}
        poetry install --with dev

    - name: Run test suite

      env:
        # show timings of test
        PYTEST_ADDOPTS: "--durations=0"
      run: poetry run pytest --cov aiida_mlip --cov-append .

    - name: Report coverage to Coveralls
      uses: coverallsapp/github-action@v2
      with:
        parallel: true
        flag-name: run-${{ matrix.python-version }}
        file: coverage.xml
        base-path: aiida_mlip

  coverage:
    needs: tests
    runs-on: ubuntu-latest
    steps:
      - name: Close parallel build
        uses: coverallsapp/github-action@v2
        with:
          parallel-finished: true

  docs:
    runs-on: ubuntu-latest
    timeout-minutes: 15
    steps:
    - uses: actions/checkout@v4

    - name: Set up Python 3.11
      uses: actions/setup-python@v5
      with:
        python-version: '3.11'

    - name: Install poetry
      run: pipx install poetry

    - name: Install python dependencies
      run: |
        poetry env use 3.11
        poetry install --with docs

    - name: Build docs
      run: cd docs && poetry run make

  pre-commit:
    runs-on: ubuntu-latest
    timeout-minutes: 15
    steps:
    - uses: actions/checkout@v4

    - name: Set up Python 3.11
      uses: actions/setup-python@v5
      with:
        python-version: '3.11'

    - name: Install poetry
      run: pipx install poetry

    - name: Install python dependencies
      run: |
        poetry env use 3.11
        poetry install --with pre-commit,docs,dev

    - name: Run pre-commit
      run: |
        poetry run pre-commit install
        poetry run pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )