Add unittests for pyiron_atomistics #1
Workflow file for this run
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| name: Integrationtests | |
| on: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Conda config | |
| shell: bash -l {0} | |
| run: echo -e "channels:\n - conda-forge\n" > .condarc | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: "3.12" | |
| miniforge-version: latest | |
| condarc-file: .condarc | |
| environment-file: .ci_support/environment-notebooks.yml | |
| - name: Test | |
| shell: bash -l {0} | |
| timeout-minutes: 5 | |
| run: | | |
| pip install . | |
| papermill notebooks/lammps.ipynb lammps_out.ipynb -k python3 | |
| papermill notebooks/sphinxdft.ipynb sphinxdft_out.ipynb -k python3 |