n2p2-ci.yaml

name: n2p2-ci
on:
  push:
  pull_request:
    branches:
      - master

jobs:
  build:
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v3
      
      - name: Install required system packages
        run: |
          # Docs
          # API docs with doxygen (built via makefile, needs cmake),
          # generating graphs with doxygen requires dot.
          sudo apt install cmake graphviz

          # Build 
          # MPI
          sudo apt install openmpi-bin libopenmpi-dev
          # BLAS
          sudo apt install libblas3 libblas-dev
          # Eigen library
          sudo apt install libeigen3-dev
          # GSL library
          sudo apt install libgsl-dev

          # Tests
          # Boost Test for C++ testing
          sudo apt install libboost-test-dev libboost-filesystem-dev
          # Coverage for C++
          sudo apt install lcov
      
      - name: Install required Python packages
        run: |
          # Docs
          pip install sphinx
          pip install sphinx_rtd_theme
          pip install breathe

          # pynnp
          pip install cython==3.0.11

          # python tests
          pip install pytest #==7.1.3
          pip install pytest-cov #==4.0.0
          pip install coverage #==7.6.1

      - name: Build n2p2 libraries and applications
        run: make MODE=test -j4
        working-directory: ./src
      
      - name: Build documentation
        run: |
          # Pre-build doxygen only on 4 cores (-j hangs on Github Actions).
          cd doc/doxygen/
          make CORES=4 doxygen
          cd ../..
          # Now build the rest of the documentation.
          make doc
          # Prevent GitHub Jekyll to interfere with Sphinx theme.
          touch ../doc/sphinx/html/.nojekyll
        working-directory: ./src
      
      - name: Build LAMMPS with n2p2 support
        run: make MODE=test lammps-hdnnp
        working-directory: ./src
      
      - name: Run C++ tests and coverage
        run: |
          make cpp
          cd cpp
          make coverage
          rm *.gcda *.gcno
        working-directory: ./test
      
      - name: Build pynnp
        run: make pynnp MODE=test
        working-directory: ./src
      
      - name: Run python tests
        run: make python
        working-directory: ./test
      
      - name: Upload C++ coverage to Codecov
        uses: codecov/codecov-action@v2
        with:
          files: test/cpp/tests.info
          flags: cpp
          verbose: true
      
      - name: Upload Python coverage to Codecov
        uses: codecov/codecov-action@v2
        with:
          directory: test/python
          flags: python
          verbose: true

      - name: Deploy Github pages
        if: ${{ github.ref == 'refs/heads/master' }}
        uses: JamesIves/github-pages-deploy-action@v4.3.3
        with:
          branch: gh-pages
          folder: doc/sphinx/html