mdimechanic.yml

code_name: 'MDI Library'
docker:
  image_name: 'mdi/mdi_library'

  build_image:
    - apt-get update
    - apt-get install -y git vim
    - pip install cmake
    - pip install numpy
    - pip install mpi4py
    - pip install pytest

  build_engine:
    - |
      if [ ! -d "build/MDI_Library" ]; then
        git clone https://github.com/MolSSI-MDI/MDI_Library.git build/MDI_Library
      fi
    - rm -rf build/MDI_Library/build
    - mkdir -p build/MDI_Library/build
    - cd build/MDI_Library/build
    - cmake -Dtest_codes=ON ..
    - make -j 1

  validate_engine:
    - echo "Insert code that will confirm that your code has been built successfully"
    - exit 1

engine_tests:
  # Provide at least one example input that can be used to test your code's MDI functionality
  script:
    - echo "Insert commands to run an example calculation here"
    - exit 1


run_scripts:
  test:
    containers:
      container1:
        image: 'mdi/mdi_library'
        script:
          - cd build/MDI_Library/tests
          - pytest -vv .