Merge pull request #442 from mir-group/develop #75

	name: Run Tests

	on:
	push:
	branches:
	- main

	pull_request:
	branches:
	- main

	jobs:
	build:

	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: [3.9]
	torch-version: [1.13.1, "2.*"]

	steps:
	- uses: actions/checkout@v2
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}
	- name: Install dependencies
	env:
	TORCH: "${{ matrix.torch-version }}"
	GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
	run: \|
	python -m pip install --upgrade pip
	pip install setuptools wheel
	if [ ${TORCH} = "1.13.1" ]; then pip install numpy==1.*; fi # older torch versions fail with numpy 2
	pip install torch==${TORCH} -f https://download.pytorch.org/whl/cpu/torch_stable.html
	pip install h5py scikit-learn # install packages that aren't required dependencies but that the tests do need
	pip install --upgrade-strategy only-if-needed .
	- name: Install pytest
	run: \|
	pip install pytest
	pip install pytest-xdist[psutil]
	- name: Download test data
	run: \|
	mkdir benchmark_data
	cd benchmark_data; wget "http://quantum-machine.org/gdml/data/npz/aspirin_ccsd.zip"; cd ..
	- name: Test with pytest
	run: \|
	# See https://github.com/pytest-dev/pytest/issues/1075
	PYTHONHASHSEED=0 pytest -n auto tests/

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