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Add testing using nbmake. Note: A lot of the notebooks are BROKEN. #1

Add testing using nbmake. Note: A lot of the notebooks are BROKEN.

Add testing using nbmake. Note: A lot of the notebooks are BROKEN. #1

Workflow file for this run

# Runs the complete test suite incl. many external command line dependencies (like Openbabel)
# as well as the pymatgen.ext package. Coverage used to be computed based on this workflow.
name: Tests
on:
push:
branches: [master]
pull_request:
branches: [master]
permissions:
contents: read
jobs:
test:
strategy:
fail-fast: false
matrix:
# pytest-split automatically distributes work load so parallel jobs finish in similar time
os: [ubuntu-latest]
python-version: ["3.11"]
runs-on: ${{ matrix.os }}
env:
PMG_MAPI_KEY: ${{ secrets.PMG_MAPI_KEY }}
steps:
- name: Check out repo
uses: actions/checkout@v4
- name: Set up micromamba
uses: mamba-org/setup-micromamba@main
- name: Create mamba environment
run: |
micromamba create -n venv python=${{ matrix.python-version }} --yes
- name: Install uv
run: micromamba run -n venv pip install uv
- name: Install dependencies
run: |
micromamba activate venv
uv pip install --upgrade -r requirements-ci.txt
- name: pytest
run: |
micromamba activate venv
cd notebooks
pytest --nbmake .