MolSSI Workshop

This is a Jupyter book template for molssi workshops

Usage

Building the book

If you'd like to develop on and build this book, you should:

• Clone this repository and run
• Run pip install -r requirements.txt (it is recommended you do this within a virtual environment)
• (Recommended) Remove the existing book/_build/ directory
• Run make html from the root of the repository

A fully-rendered HTML version of the book will be built in book/_build/html/.

Hosting the book

The html version of the book is hosted on the gh-pages branch of this repo. A GitHub actions workflow has been created that automatically builds and pushes the book to this branch on a push or pull request to main.

If you wish to disable this automation, you may remove the GitHub actions workflow and build the book manually by:

• Navigating to your local build; and running,
• ghp-import -n -p -f book/_build/html

This will automatically push your build to the gh-pages branch. More information on this hosting process can be found here.

Contributors

We welcome and recognize all contributions.

Credits

This project is created using the excellent open source Jupyter Book project and the executablebooks/cookiecutter-jupyter-book template.