Tests

Fix `pymatgen`'s `Composition` hash #518

	name: Tests

	on:
	workflow_dispatch:

	push:
	branches:
	- '*' # all branches

	jobs:
	build:
	strategy:
	fail-fast: false

	matrix:
	os: [ ubuntu-latest, macos-14 ]
	python-version: [ '3.10', '3.11', '3.12' ]

	runs-on: ${{ matrix.os }}

	steps:
	- uses: actions/checkout@v4

	- uses: actions/setup-python@v5
	with:
	python-version: ${{ matrix.python-version }}

	- name: Install dependencies
	run: \|
	python -m pip install --upgrade pip
	pip install -e .[tests]

	- name: Install spglib on macOS
	if: matrix.os == 'macos-14'
	run: \|
	pip install git+https://github.com/spglib/spglib --config-settings=cmake.define.SPGLIB_SHARED_LIBS=OFF # avoid spglib warnings

	- name: Install spglib on ubuntu
	if: matrix.os == 'ubuntu-latest'
	run: \|
	conda install -c conda-forge spglib # avoid spglib warnings

	- name: Test
	run: \|
	pytest -vv -m "not mpl_image_compare" tests # all non-plotting tests

	- name: Plotting Tests
	if: always() # run even if non-plotting tests fail
	id: plotting_tests # Add an ID to this step for reference
	run: \|
	pytest --mpl -m "mpl_image_compare" tests # all plotting tests

	- name: Generate GH Actions test plots
	if: failure() && steps.plotting_tests.outcome == 'failure' # Run only if plotting tests fail
	run: \|
	# Generate the test plots in case there were any failures:
	pytest --mpl-generate-path=tests/remote_baseline -m "mpl_image_compare" tests

	# Upload test plots
	- name: Archive test plots
	if: always()
	uses: actions/upload-artifact@v4
	with:
	name: output-plots
	path: tests/remote_baseline

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