Add wrap() function which combines wrap_executable() and wrap_python_function() #115
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| # This workflow is used to check the compatibility with the pyiron_atomistics | |
| name: Compatibility with pyiron_atomistics Notebooks | |
| on: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| types: [labeled, opened, synchronize, reopened] | |
| jobs: | |
| build: | |
| if: | | |
| github.event_name == 'push' || | |
| ( github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'integration' )) | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Merge environment | |
| shell: bash -l {0} | |
| run: | | |
| git clone https://github.com/pyiron/pyiron_atomistics ../pyiron_atomistics | |
| cp ../pyiron_atomistics/.ci_support/environment.yml environment.yml | |
| tail --lines=+4 ../pyiron_atomistics/.ci_support/environment-notebooks.yml >> environment.yml | |
| 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: environment.yml | |
| - name: Tests | |
| shell: bash -l {0} | |
| timeout-minutes: 30 | |
| run: | | |
| pip install versioneer[toml]==0.29 | |
| cd ../pyiron_atomistics | |
| pip install . --no-deps --no-build-isolation | |
| cd ../pyiron_base | |
| pip install . --no-deps --no-build-isolation | |
| cd ../pyiron_atomistics | |
| ./.ci_support/build_notebooks.sh |