new version for pdb2pdbqt #107
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| name: Uni-Dock Tools CI/CD | |
| on: | |
| push: | |
| branches: | |
| - '**ci**' | |
| pull_request: | |
| branches: | |
| - main | |
| 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: 3.11 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 | |
| - name: Run flake8 formating | |
| working-directory: ./unidock_tools | |
| run: | | |
| flake8 src --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: 3.11 | |
| - 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 src | |
| tests: | |
| if: ${{ always() }} | |
| needs: [flake8,pyright] | |
| runs-on: nvidia | |
| container: | |
| image: dptechnology/unidock_tools | |
| 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 | |
| working-directory: ./unidock_tools | |
| run: | | |
| pip install pytest pytest-cov | |
| pytest tests/ut -vv --cov --cov-report term | |
| - name: run application e2e test | |
| working-directory: ./unidock_tools | |
| run: | | |
| pytest tests/applications -vv --cov --cov-report term |