dft grouped gemm #25

	# 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: self hosted CI

	on:
	push:
	branches: [ "master" ]
	pull_request:
	branches: [ "master" ]

	permissions:
	contents: read

	jobs:
	build:

	runs-on: self-hosted

	steps:
	- uses: actions/checkout@v3
	- name: Install dependencies
	run: \|
	python3 -m pip install --upgrade pip
	pip3 install flake8 pytest coverage pyscf cupy-cuda11x geometric cutensor-cu11 gpu4pyscf-libxc-cuda11x
	- 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: Test with pytest
	run: \|
	echo $GITHUB_WORKSPACE
	export PYTHONPATH="${PYTHONPATH}:$GITHUB_WORKSPACE"
	python3 -m pytest

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