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Add unit test case #45

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

	jobs:
	unidock_test:
	runs-on: nvidia
	container:
	image: nvidia/cuda:12.2.0-devel-ubuntu22.04
	options: --gpus all
	steps:
	- name: checkout repo
	uses: actions/checkout@v4

	- name: install basic packages
	run: \|
	apt-get update
	apt-get install -y build-essential cmake libboost-all-dev ninja-build

	- if: ${{ env.ACT }}
	name: Hack container for local development
	run: \|
	apt-get install -y curl sudo
	curl -fsSL https://deb.nodesource.com/setup_18.x \| bash -
	sudo apt-get install -y nodejs

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

	- name: validation
	run: \|
	nvidia-smi
	unidock --version

	- name: Set up Python 3.10
	uses: actions/setup-python@v5
	with:
	python-version: '3.10'

	- name: perform unit-test
	run: \|
	python -m pip install --upgrade pip
	pip install pytest>=8.0.0 pytest-cov
	pytest unidock/test/ut -vv --doctest-modules --junitxml=junit/test-results.xml --cov --cov-report term

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