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Add AiiDA base example notebook #42

Add AiiDA base example notebook

Add AiiDA base example notebook #42

Workflow file for this run

name: basic
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: "3.11"
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 basic.ipynb basic-out.ipynb -k "python3"