ci.yml

name: CI

on:
  push:
    branches: [ main ]
  pull_request:
    branches: [ main ]
  workflow_dispatch:

jobs:

  build-and-test:
    strategy:
      matrix:
        gnu_version: [9, 10]
    runs-on: ubuntu-latest
    steps:
      - name: Create/activate conda environment and install dependencies
        run: |
          conda create --name profess cmake python=3 numpy scipy
          eval "$(conda shell.bash hook)" && conda activate profess
          conda install -c conda-forge libxc armadillo fftw
      - name: Check out profess
        uses: actions/checkout@v2
        with:
          submodules: recursive
      - name: Configure and build
        env:
          CC: gcc-${{ matrix.gnu_version }}
          CXX: g++-${{ matrix.gnu_version }}
          FC: gfortran-${{ matrix.gnu_version }}
        run: |
          eval "$(conda shell.bash hook)" && conda activate profess
          mkdir build && cd build
          cmake \
            -DLIBXC_INCLUDE_DIR=/usr/share/miniconda/envs/profess/include \
            -DLIBXC_LIBRARY_DIR=/usr/share/miniconda/envs/profess/lib \
            ..
          make
          export PYTHONPATH=$PYTHONPATH:$PWD
      - name: Run tests
        run: |
          eval "$(conda shell.bash hook)" && conda activate profess
          cd test
          python -m unittest