Install

To install castep_outputs simply run:

pip install castep_outputs

To check it is installed run:

python -m castep_outputs -h

Dependencies

castep_outputs is designed to have no external dependencies beyond the standard library, however, it is possible to use either PyYAML or ruamel.yaml to dump in the YAML format.

This documentation was created using jupyter-book<https://jupyterbook.org/>. If you want to build the documentation yourself you will need to install the additional dependencies listed in docs/requirements.txt. You can do this by installing castep_outputs with the docs extra:

pip install castep_outputs[docs]

If installing from a local copy of the repository you can install the docs extra by running:

pip install -e .[docs]

Note that in zsh you will need to escape the square brackets:

pip install -e .\[docs\]