Fix mybinder aiida installation #107
Workflow file for this run
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: jobflow | |
| on: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| auto-update-conda: true | |
| python-version: "3.12" | |
| environment-file: environment.yml | |
| auto-activate-base: false | |
| - name: Installation and setup | |
| shell: bash -l {0} | |
| run: | | |
| pip install -e adis_tools | |
| pip install -e python_workflow_definition | |
| conda install -c conda-forge jupyter papermill | |
| verdi presto --profile-name adis | |
| - name: Tests | |
| shell: bash -l {0} | |
| run: | | |
| export ESPRESSO_PSEUDO=$(pwd)/espresso/pseudo | |
| papermill universal_simple_to_jobflow.ipynb universal_simple_to_jobflow_out.ipynb -k "python3" | |
| papermill universal_qe_to_jobflow.ipynb universal_qe_to_jobflow_out.ipynb -k "python3" | |
| papermill jobflow_to_pyiron_base_simple.ipynb jobflow_to_pyiron_base_simple_out.ipynb -k "python3" | |
| papermill jobflow_to_pyiron_base_qe.ipynb jobflow_to_pyiron_base_qe_out.ipynb -k "python3" | |
| papermill jobflow_to_aiida_simple.ipynb jobflow_to_aiida_simple_out.ipynb -k "python3" | |
| papermill jobflow_to_aiida_qe.ipynb jobflow_to_aiida_qe_out.ipynb -k "python3" |