ci.yml

---
name: continuous-integration
on: [push, pull_request]

jobs:
    test-package:
        runs-on: ubuntu-latest
        strategy:
            matrix:
                python-version: ['3.8', '3.9', '3.10', '3.11', '3.12']

        steps:
            - name: Check out repository
              uses: actions/checkout@v4

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

            - name: Install package and its dependencies
              run: |
                  pip install -e .[dev,opencl]
                  pip install pocl-binary-distribution

            - name: Run pytest
              run: PPAFM_RECOMPILE=1 pytest tests examples -v --cov --cov-report json

            - name: Upload coverage report
              uses: codecov/codecov-action@v3
              with:
                  flags: python-${{ matrix.python-version }}

            - name: Save test images
              uses: actions/upload-artifact@v3
              with:
                  name: test-images
                  path: ./*.png

    test-docker:
        name: Test docker image on ${{ matrix.os }}
        runs-on: ${{ matrix.os }}
        strategy:
            matrix:
                os: [ubuntu-latest] # Further: test docker builds on different OS

        steps:
            - name: Check out repository
              uses: actions/checkout@v2

            - name: Build a Docker image
              run: docker build -t ppafm:latest .

            - name: Execute the container.
              run: |
                  cd examples/PTCDA_single/
                  docker run --rm -v ${PWD}:/exec ppafm:latest ppafm-generate-ljff -i PTCDA.xyz
                  docker run --rm -v ${PWD}:/exec ppafm:latest ppafm-generate-elff-point-charges -i PTCDA.xyz --tip s
                  docker run --rm -v ${PWD}:/exec ppafm:latest ppafm-relaxed-scan -k 0.5 -q -0.10
                  docker run --rm -v ${PWD}:/exec ppafm:latest ppafm-plot-results -k 0.5 -q -0.10 --arange 0.5 2.0 2 --df