ci_test_tools.yml

name: Uni-Dock Tools CI/CD
on:
  push:
    branches:
      - '**ci**'
  pull_request:
    branches: 
      - main

env:
  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: ${{ env.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: ${{ env.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: ${{ always() }}
    needs: [flake8,pyright]
    runs-on: nvidia
    strategy:
      matrix:
        cuda-version: ["12.0.0"]
    container:
      image: docker.io/xmyyn/unidock_tools_base:0.0.1_cuda${{ matrix.cuda-version }}
      options: --gpus all
    steps:
    - name: checkout repo
      uses: actions/checkout@v4

    - name: install unidock
      working-directory: ./unidock
      run: |
        apt-get update && apt-get install -y ninja-build
        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