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docs: do not execute notebooks (#93) #4

docs: do not execute notebooks (#93)

docs: do not execute notebooks (#93) #4

# .github/workflows/execute-notebooks.yml
name: Execute Notebooks
on:
push:
branches: [ main ]
paths:
- 'docs/Data Formatting/*ipynb'
- 'docs/*ipynb'
- '.github/workflows/execute_notebooks.yml'
pull_request:
branches: [ main ]
paths:
- 'docs/Data Formatting/*ipynb'
- 'docs/*ipynb'
- '.github/workflows/execute_notebooks.yml'
workflow_dispatch: # Allow manual trigger
jobs:
execute-notebooks:
runs-on: ubuntu-latest
steps:
- name: Checkout repository
uses: actions/checkout@v4
with:
token: ${{ secrets.GITHUB_TOKEN }}
fetch-depth: 0
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: '3.12'
cache: 'pip'
- name: Install dependencies
run: |
# Install system dependencies
sudo apt update
sudo apt install pandoc
# Install Python dependencies
python -m pip install --upgrade pip
pip install jupyter nbconvert nbformat
pip install -r requirements.txt
pip install ipykernel rdkit cairosvg pymzml
pip install .
- name: Configure git
run: |
git config --local user.email "action@github.com"
git config --local user.name "GitHub Action"
- name: Find and execute notebooks
run: |
# Find all notebooks that need to execute (adjust paths as needed)
find "docs/Data Formatting/" -name "*.ipynb" > notebooks_to_execute.txt
echo "docs/Getting Started.ipynb" >> notebooks_to_execute.txt
echo "Found notebooks:"
cat notebooks_to_execute.txt
# Execute each notebook
while IFS= read -r notebook; do
echo "Executing: $notebook"
# Clear outputs first (optional)
jupyter nbconvert --clear-output --inplace "$notebook"
# Execute notebook
jupyter nbconvert --execute --to notebook --inplace "$notebook" \
--ExecutePreprocessor.timeout=300 \
--ExecutePreprocessor.kernel_name=python3
# Check if execution was successful
if [ $? -eq 0 ]; then
echo "✓ Successfully executed: $notebook"
else
echo "✗ Failed to execute: $notebook"
exit 1
fi
done < notebooks_to_execute.txt
- name: Push changes
if: steps.verify-changed-files.outputs.changed == 'true' && github.event_name != 'pull_request'
run: |
git push origin ${{ github.ref_name }}
- name: Summary
run: |
if [ "${{ steps.verify-changed-files.outputs.changed }}" == "true" ]; then
echo "✅ Notebooks executed successfully and changes committed"
else
echo "✅ Notebooks executed successfully, no changes to commit"
fi