tests.yml

name: CI

on:
  push:
    branches: [master]
    tags:
      - 'v*'
  pull_request:

jobs:

  pre-commit:
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v2
    - name: Set up Python
      uses: actions/setup-python@v1
      with:
        python-version: 3.8
    - uses: pre-commit/action@v2.0.0

  tests:

    timeout-minutes: 30

    strategy:
      fail-fast: false
      matrix:
        include:
        - python-version: 3.7
          lammps-version: "2019.06.05"
          backend: django
        - python-version: 3.7
          lammps-version: "2019.06.05"
          backend: sqlalchemy
        - python-version: 3.8
          lammps-version: "2020.12.24"
          backend: django
        - python-version: 3.9
          lammps-version: "2020.12.24"
          backend: django

    runs-on: ubuntu-latest

    services:
      postgres:
        image: postgres:10
        env:
          POSTGRES_DB: test_${{ matrix.backend }}
          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@v2

    - name: Setup conda
      uses: s-weigand/setup-conda@v1
      with:
        # update-conda: true
        python-version: ${{ matrix.python-version }}
        conda-channels: conda-forge

    - name: install lammps
      run: conda install -y lammps==${{ matrix.lammps-version }}

    - name: Upgrade pip
      run: |
        pip install --upgrade pip
        pip --version

    - name: Installation
      run: |
        pip install -e .[testing]
        reentry scan

    - name: Run pytest
      run: |
        pytest  --lammps-exec lmp_serial --cov=aiida_lammps --cov-report=xml --cov-report=term-missing

    - name: Upload to Codecov
      if: matrix.python-version == 3.8
      uses: codecov/codecov-action@v1
      with:
        name: pytests-lammps
        flags: pytests
        file: ./coverage.xml
        fail_ci_if_error: true

  publish:
    name: Publish to PyPi
    needs: [pre-commit, tests]
    if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags')
    runs-on: ubuntu-latest
    steps:
    - name: Checkout source
      uses: actions/checkout@v2
    - name: Set up Python
      uses: actions/setup-python@v1
      with:
        python-version: 3.8
    - name: Build package
      run: |
        pip install wheel
        python setup.py sdist bdist_wheel
    - name: Publish
      uses: pypa/gh-action-pypi-publish@v1.1.0
      with:
        user: __token__
        password: ${{ secrets.PYPI_KEY }}