Installation of CDTK
====================

Requirements
------------
you need the following programs installed before you can procceed

1. XMOLECULE (which requires XATOM). Both are inclued in `XRAYPAC <desy.de/~xraypac/>`_.

2. if you like to interface with GAMESSUS, you need `GAMESSUS <https://www.msg.chem.iastate.edu/gamess/>`_.

3. you need python version > 3

Installation Instructions
-------------------------
In the CDTK base directory call::

   pip install .

to install CDTK in your local python environment