Update Dockerfiles #1
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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 |