Hdf5 versions support and refactoring promolecule #354

	name: pytest

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

	jobs:
	tests:
	name: "Python ${{ matrix.py }} on OS ${{ matrix.os }}"
	runs-on: ${{ matrix.os }}

	strategy:
	matrix:
	# windows-latest is not supported because pyscf is not supported on windows
	# https://pyscf.org/user/install.html
	os: ["ubuntu-latest", "macos-latest"]
	py: ["3.10", "3.11", "3.12"]

	steps:
	- uses: "actions/checkout@v4"
	# Whether to download Git-LFS files
	with:
	lfs: true

	- name: Setup python for test ${{ matrix.py }}
	uses: actions/setup-python@v5
	with:
	python-version: ${{ matrix.py }}

	- name: Install development version
	run: \|
	pip install -e '.[dev]'

	- name: Install extra test dependencies
	run: \|
	pip install --upgrade pip
	pip install .[test_extra]


	- name: Run pytest default tests
	uses: pavelzw/pytest-action@v2
	with:
	verbose: true
	emoji: true
	job-summary: true
	click-to-expand: true
	report-title: 'Test Report'

	- name: Install Dev Dependencies
	run: \|
	pip install .[dev]

	- name: Run pytest Dev Tests
	uses: pavelzw/pytest-action@v2
	with:
	verbose: true
	emoji: true
	job-summary: true
	click-to-expand: true
	report-title: 'Dev Test Report'
	pytest-args: '-m dev'

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