Installation¶

Pip install¶

The easiest way to install this package is using the PyPI pip install

pip install kspies

This distribution does not come with the extras (the example files used the in the tutorial), but these can be downloaded here: example folder

Warning

Please note that our software can run on any operating system, but typical use is dependent on pySCF which is limited to Linux environments only.

This software is written in python, so be sure to have an up to date instillation of python. We have verified use on python 3.6 and higher.

KS-Pies requires the following dependencies, which were the most current versions at the time of this writing:

Its entirely like that it works with previous versions, but we have not verified this.

On your system, extract to a local folder and note the full path of the folder.

A test example is provided as the example folder which can be used to verify that KS-pies is working correctly: 1. Test Script .

At this point the program should be ready to run.