Update pyxtal.io.search_molecules_in_crystal
to have an option for missing bond lengths
#860
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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: Run Tests | |
run: pytest tests/test_all.py |