mdimechanic.yml

code_name: 'INQ'
docker:
  image_name: 'mdi/inq'

  build_image:
    # Install apt-get packages
    - apt-get update
    - apt-get install -y wget libblas-dev liblapack-dev libfftw3-dev git cmake pkg-config vim
    - apt-get clean
    - apt-get purge
    - rm -rf /tmp/* /var/tmp/* /var/lib/apt/lists/*

    # Custom compile Boost
    # Installing boost via apt-get will also install OpenMPI, but we want to use MPICH
    - wget -O boost_1_78_0.tar.gz https://boostorg.jfrog.io/artifactory/main/release/1.78.0/source/boost_1_78_0.tar.gz
    - tar -xvf boost_1_78_0.tar.gz
    - cd boost_1_78_0
    - ./bootstrap.sh
    - echo "using mpi ;" >> project-config.jam
    - ./b2 install
    - cd ..
    - rm boost_1_78_0.tar.gz
    - rm -rf boost_1_78_0

    # Install pip packages
    - pip install pymdi
    - pip install mpi4py

  build_engine:
    # Obtain a clone of INQ
    - |
      if [ ! -d "build/inq" ]; then
        git clone --branch mdi --recurse-submodules https://gitlab.com/taylor-a-barnes/inq.git build/inq
      fi
    - cd build/inq
    - mkdir -p build
    - cd build

    # Only configure once, because it is a long process
    - |
      if [ ! -d "/repo/build/install" ]; then
        ../configure --prefix=/repo/build/install
      fi
    - make -j 4
    - make install

  validate_engine:
    - cd build/inq/build/tests
    - ./h2o_ground_state

run_scripts:
  test:
    containers:
      container1:
        image: 'mdi/inq'
        script:
          - cd build/inq/build/tests
          - ./h2o_ground_state

  plugin:
    containers:
      container1:
        image: 'mdi/inq'
        script:
          - cd tests/driver
          - mpiexec -n 1 python plugin_driver.py --plugin_name "inqmdi" --mdi "-role DRIVER -name driver -method LINK -plugin_path /repo/build/inq/build/examples"

  nitrogen:
    containers:
      container1:
        image: 'mdi/inq'
        script:
          - cd build/inq/build/examples
          - ./nitrogen_paper

  plugin_driver:
    containers:
      container1:
        image: 'mdi/inq'
        script:
          - cd build/inq/build/examples
          - mpiexec -n 2 ./inq_mdi_driver -mdi "-role DRIVER -name driver -method LINK -plugin_path /repo/build/inq/build/examples" -driver_nranks 0 -plugin_nranks 2 -plugin_name inqmdi

engine_tests:
  # Provide at least one example input that can be used to test your code's MDI functionality
  script:
    - cd build/inq/build/examples
    - ./inq_mdi -mdi "${MDI_OPTIONS}"

    #- cd tests/driver
    #- python plugin_driver.py -mdi "-role DRIVER -name driver -method LINK -plugin_path /repo/build/inq/build/examples"


test_drivers:
  test_driver:
    script:
      - cd tests/driver
      - python driver.py -mdi "-role DRIVER -name driver -method TCP -port 8021"

  plugin_driver:
    script:
      - sleep 30