examples.yml

name: Pytest for examples

on: 
  push:
    branches: [main]
  pull_request:
    # Check all PR
  
concurrency:
  group: example-tests-${{ github.ref }}
  cancel-in-progress: ${{ github.ref != 'refs/heads/main' }}

jobs:
  example-tests:
    runs-on: ${{ matrix.os }}
    name: Examples on ${{ matrix.os }} / Python ${{ matrix.python-version }}
    strategy:
      matrix:
        include:
          - os: ubuntu-22.04
            python-version: "3.8"
          - os: ubuntu-22.04
            python-version: "3.12"

    steps:
      - uses: actions/checkout@v4
        with:
          fetch-depth: 0

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

      - run: which python

      - name: Install dependencies and Project
        run: |
          python -m pip install --upgrade pip
          pip install -r requirements.txt 
          pip install .
          pip install ase==3.22.1
          echo "${GITHUB_WORKSPACE}/bin" >> $GITHUB_PATH

      - name: Install Gfortran and Compile Driver
        shell: bash
        run: |
          sudo apt-get update
          sudo apt-get install gfortran
          cd drivers/f90
          make

      - name: pytests for examples
        shell: bash
        run: |
          i-pi-tests -t examples