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Uni-Dock Tools CI/CD

Feature/template mode #33

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Feature/template mode

Feature/template mode #33

Workflow file for this run

.github/workflows/ci_test_tools.yml at 01d0c6d
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