Add continuous integration for new AiiDA example #121
Workflow file for this run
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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: Tests | |
shell: bash -l {0} | |
run: | | |
pip install -e aiida_qe_basic | |
conda install -c conda-forge jupyter papermill | |
export ESPRESSO_PSEUDO=$(pwd)/espresso/pseudo | |
papermill jobflow.ipynb jobflow-out.ipynb -k "python3" |