Tests

Ensure correct _sorted_ structure generated (for correct `ROPT` setti… #36

	name: Tests

	on:
	pull_request:
	branches:
	- main
	- develop
	push:
	branches:
	- main
	- develop
	workflow_dispatch:

	jobs:
	build:
	strategy:
	fail-fast: false

	matrix:
	python-version: ['3.8', '3.9', '3.10', '3.11']
	os: [ubuntu-latest,macos-latest,windows-latest]

	runs-on: ${{matrix.os}}
	steps:
	- uses: actions/checkout@v2

	- uses: actions/setup-python@v2
	with:
	python-version: ${{ matrix.python-version }}

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

	- name: Check package versions
	run: \|
	pip show -V pymatgen-analysis-defects
	pip show -V pymatgen
	pip show -V pytest

	- name: Test
	run: \|
	pytest --mpl -vv tests # test everything

	- name: Generate GH Actions test plots
	if: always() # always generate the plots, even if the tests fail
	run: \|
	# Generate the test plots in case there were any failures:
	pytest --mpl-generate-path=tests/remote_baseline tests/test_plotting.py
	pytest --mpl-generate-path=tests/remote_baseline tests/test_shakenbreak.py

	# Upload test plots
	- name: Archive test plots
	if: always() # always upload the plots, even if the tests fail
	uses: actions/upload-artifact@v3
	with:
	name: output-plots
	path: tests/remote_baseline

	# - name: Download a single artifact
	# uses: actions/download-artifact@v3
	# with:
	# name: output-plots

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