tests.yml

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