Release v6.1.1 #118

	name: cint pipeline

	on:
	- push

	jobs:
	build:
	runs-on: ${{ matrix.os }}
	strategy:
	matrix:
	os: [macos-latest, ubuntu-20.04]
	steps:
	- uses: actions/checkout@v3
	- name: Set up Python 3.7
	uses: actions/setup-python@v2
	with:
	python-version: 3.7
	- name: Compile
	run: \|
	env
	cmake -DWITH_RANGE_COULOMB=1 -DWITH_COULOMB_ERF=1 -DWITH_F12=1 -Bbuild -DKEEP_GOING=1 .
	cmake --build build
	pip install numpy mpmath pyscf
	- name: Test for rys-roots
	if: startsWith(matrix.os, 'ubuntu')
	run: \|
	cd ${{ github.workspace }}/tests
	python test_rys_roots.py
	- name: Unittest
	if: startsWith(matrix.os, 'ubuntu')
	run: \|
	cd ${{ github.workspace }}/tests
	for i in test_cint.py test_3c2e.py test_int2e.py; do
	echo $i
	curl -O https://raw.githubusercontent.com/sunqm/libcint/master/testsuite/$i
	python $i --quick
	done
	for i in test_c2s.py test_int1e_grids.py test_int1e.py test_int2c2e.py test_int3c1e.py; do
	echo $i
	curl -O https://raw.githubusercontent.com/sunqm/libcint/master/testsuite/$i
	python $i
	done

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