ci_tools.yml

name: Uni-Dock Tools CI/CD
on:
  push:
    branches: []
  pull_request:
    branches: [ main ]

env:
  BASE_IMAGE_VERSION: "0.0.1"
  PYTHON_VERSION: "3.11"

jobs:
  flake8:
    continue-on-error: true
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v4
    - name: Set up Python
      uses: actions/setup-python@v5
      with:
        python-version: $PYTHON_VERSION

    - name: Install dependencies
      run: |
        python -m pip install --upgrade pip
        pip install flake8

    - name: Run flake8 formating
      run: |
        flake8 unidock_tools/unidock_tools --exit-zero

  pyright:
    continue-on-error: true
    runs-on: ubuntu-latest

    steps:
    - uses: actions/checkout@v4
    - name: Set up Python
      uses: actions/setup-python@v5
      with:
        python-version: $PYTHON_VERSION

    - name: Install dependencies
      run: |
        python -m pip install --upgrade pip
        pip install pyright

    - name: Run pyright check
      id: pyright_check
      working-directory: ./unidock_tools
      run: |
        pyright

  tests:
    if: ${{ always() }}
    needs: [flake8,pyright]
    runs-on: nvidia
    strategy:
      matrix:
        cuda-version: ["12.0.0"]
    container:
      image: docker.io/xmyyn/unidock_tools_base:$BASE_IMAGE_VERSION_cuda${{ matrix.cuda-version }}
      options: --gpus all
    steps:
    - name: checkout repo
      uses: actions/checkout@v4

    - name: install unidock
      working-directory: ./unidock
      run: |
        mkdir build
        cd build
        cmake .. -G Ninja -DCMAKE_BUILD_TYPE=Release
        cmake --build .
        cmake --install .
        cd ..

    -name: check env
      run: |
        unidock --version
        confgen --version
        which python

    - name: install tools
      working-directory: ./unidock_tools
      run: |
        pip install .

    - name: run unit-test
      run: |
        pip install pytest pytest-cov
        pytest unidock_tools/tests/ut -vv --cov --cov-report term
    
    - name: run application e2e test
      run: |
        pytest unidock_tools/tests/applications -vv --cov --cov-report term

  build_docker_image:
    needs: tests
    runs-on: ubuntu-latest
    strategy:
      matrix:
        cuda-version: ["12.0.0"]
    steps:

    - name: log in to docker hub
      uses: docker/login-action@v3
      if: github.event_name == 'push'
      with:
        username: dptechnology
        password: ${{ secrets.DOCKERHUB_PAT }}

    - name: Set up QEMU
      uses: docker/setup-qemu-action@v3

    - name: set up docker buildx
      uses: docker/setup-buildx-action@v3

    - uses: benjlevesque/short-sha@v3.0
      id: short-sha
      with:
        length: 7

    - name: check commit short sha
      run: echo ${{ steps.short-sha.outputs.sha }}

    - name: build and push container
      uses: docker/build-push-action@v5
      with:
        platforms: linux/amd64
        build-args: BASE_IMAGE=xmyyn/unidock_tools_base:$BASE_IMAGE_VERSION_cuda${{ matrix.cuda-version }}
        tags: dptechnology/unidock_tools:${{ steps.short-sha.outputs.sha }},dptechnology/unidock_tools:latest
        file: unidock_tools/containers/Dockerfile
        push: ${{ github.event_name == 'push' }}