tests

enable ff_opt option to allow training data collection #1009

	name: tests

	on:
	push:
	paths:
	- '**.py' # only run workflow when source files changed
	pull_request:
	branches:
	- master
	paths:
	- '**.py'

	jobs:
	tests:
	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: ["3.9", "3.10"]

	steps:
	- name: Check out repo
	uses: actions/checkout@v4

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

	- name: Install uv
	run: pip install uv

	- name: Install dependencies
	run: uv pip install .[test] --system

	- name: Test_general
	run: pytest tests/test_all.py

	- name: Test_crystal
	run: pytest tests/test_crystal.py

	- name: Test_lattice
	run: pytest tests/test_lattice.py

	- name: Test_molecule
	run: pytest tests/test_molecule.py

	- name: Test_wyckoff
	run: pytest tests/test_wyckoff.py

	- name: Test_symmetry
	run: pytest tests/test_symmetry.py

	- name: Test_group
	run: pytest tests/test_group.py

	- name: Test_lego
	run: pytest tests/test_lego.py

	- name: Test_supergroup
	run: pytest tests/test_supergroup.py

	- name: Test_so3
	run: pytest tests/test_SO3.py

	#- name: Test_xrd
	# run: pytest tests/test_xrd.py

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