README.md

CP2K Documentation

These are the source of the CP2K manual. They are published daily by this script.

To build a local version of the manual perform the following steps:

1. Install the required Python packaged:

   pip3 install sphinx myst-parser sphinx_rtd_theme lxml

2. Build a CP2K binary and use it to generate the cp2k_input.xml and references.html files:

   ../exe/local/cp2k.psmp --xml

3. Generate Markdown pages from the aforementioned files:

   ./generate_input_reference.py ./cp2k_input.xml ./references.html

4. Run Sphinx:

   make html

5. Browse the HTML output in the _build/html directory.