nightly build #196

	# This workflow will install Python dependencies, run tests and lint with a single version of Python
	# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python

	name: nightly build

	on:
	schedule:
	- cron: "0 3 * * *"
	workflow_dispatch:

	permissions:
	contents: read

	jobs:
	build:

	runs-on: self-hosted

	steps:
	- uses: actions/checkout@v3
	- name: Install dependencies
	run: \|
	pip3 config set global.index-url https://pypi.tuna.tsinghua.edu.cn/simple
	python3 -m pip install --upgrade pip
	pip3 install flake8 pytest coverage pytest-cov pyscf-dispersion
	pip3 install pyscf --upgrade
	pip3 install numpy --upgrade
	pip3 install scipy --upgrade
	pip3 install cupy-cuda12x --upgrade
	pip3 install gpu4pyscf-libxc-cuda12x --upgrade
	git config --global core.compression 9
	- name: Build GPU4PySCF
	run: \|
	export CUDA_HOME=/usr/local/cuda
	export PATH=${CUDA_HOME}/bin:${PATH}
	export LD_LIBRARY_PATH=${CUDA_HOME}/lib64:$LD_LIBRARY_PATH
	sh build.sh
	- name: Smoke Test
	run: \|
	echo $GITHUB_WORKSPACE
	export PYTHONPATH="${PYTHONPATH}:$(pwd)"
	pytest --durations=0

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