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[pre-commit.ci] pre-commit autoupdate #105

[pre-commit.ci] pre-commit autoupdate

[pre-commit.ci] pre-commit autoupdate #105

Workflow file for this run

name: Execute notebook
on:
push:
branches:
- main
tags-ignore:
- '**'
pull_request:
jobs:
build:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Setup python for notebook testing 3.7
uses: actions/setup-python@v4
with:
python-version: 3.7
- name: Install dependencies for executing notebook
run: |
pip install --upgrade pip
pip install pytest pytest-md pytest-emoji
# Install jupyter
pip install jupyterlab nbclient matplotlib
# Install iodata
pip install qc-iodata
# Install gbasis
git clone https://github.com/theochem/gbasis.git
cd gbasis
pip install .
# python -m pip install git+https://github.com/theochem/gbasis.git
- name: Install development version
run: |
pip install -e .
- id: jupyter
name: Jupyter Notebook Execution
run: jupyter execute ./examples/*.ipynb
shell: bash