Fix pytest github actions #169

	name: pytest

	on:
	push:
	branches:
	- main
	tags-ignore:
	- '**'
	pull_request:

	jobs:
	pytest:
	name: "Python ${{ matrix.py }} on OS ${{ matrix.os }}"
	runs-on: ${{ matrix.os }}
	env:
	COVERAGE_SINGLE: 78
	COVERAGE_TOTAL: 78

	strategy:
	matrix:
	os: ["ubuntu-latest", "windows-latest"]
	py: ["3.10", "3.11"]

	steps:
	- uses: "actions/checkout@v3"

	- name: Setup python for test ${{ matrix.py }}
	uses: actions/setup-python@v4
	with:
	python-version: ${{ matrix.py }}

	- name: Install old dependencies for testing
	if: ${{ matrix.py == '3.9'}}
	run: \|
	pip install --upgrade pip
	pip install pytest pytest-md pytest-emoji pytest-cov
	pip install numpy==1.23 scipy==1.11.1 attrs==21.3.0

	- name: Install new dependencies for testing
	if: ${{ matrix.py == '3.11'}}
	run: \|
	pip install --upgrade pip
	pip install pytest pytest-md pytest-emoji pytest-cov
	pip install numpy==2.0.0 scipy==1.14.0

	- name: Install development version
	run: \|
	# Need editable mode in order to include the test files
	pip install --user git+https://github.com/theochem/iodata.git@main
	pip install -e .[dev,iodata]

	- name: Install Libcint library
	if: ${{ matrix.os != 'windows-latest' }}
	run: \|
	echo "${{ matrix.os }}"
	sudo apt-get install -y sbcl
	USE_LIBCINT=1 ./tools/install_libcint.sh

	- name: Run Pytest
	run: \|
	pytest --cov=./gbasis/ --cov-fail-under=78 --cov-report term .

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