ci.yml

name: ci

on: [push, pull_request]

jobs:

  tests:
    runs-on: ubuntu-latest
    timeout-minutes: 120
    services:
      postgres:
        image: postgres:12
        ports:
          - 5432:5432
      rabbitmq:
        image: rabbitmq:latest
        ports:
          - 5672:5672
    strategy:
      matrix:
        python-version: ['3.9', '3.10', '3.11']
    steps:
    - uses: actions/checkout@v3

    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v4
      with:
        python-version: ${{ matrix.python-version }}

    - name: Install python dependencies
      run: |
        pip install -e .[dev]

    - name: Install CP2K
      run: |
        bash .github/install_cp2k.sh
        echo "$PWD/cp2k" >> $GITHUB_PATH

    - name: Install QE
      run: |
        bash .github/install_qe.sh
        echo "$PWD/qe/bin" >> $GITHUB_PATH

    - name: Run pytest
      run: |
        pytest --cov-report=xml --cov=aiida_nanotech_empa

    - name: Upload coverage to codecov
      uses: codecov/codecov-action@v1
      with:
        token: ${{secrets.CODECOV_TOKEN}}
        file: ./coverage.xml

  pre-commit:
    runs-on: ubuntu-latest
    timeout-minutes: 15
    strategy:
      matrix:
        python-version: ['3.9', '3.10', '3.11']
    steps:
    - uses: actions/checkout@v3

    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v4
      with:
        python-version: ${{ matrix.python-version }}

    - name: Install python dependencies
      run: |
        pip install --upgrade pip
        pip install -e .[dev]

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