CatMAP is currently in alpha testing and thus only can only be installed from source via GitHub. The code runs directly from source, so it can be “installed” by cloning the GitHub repository. Before installing make sure that the required dependencies are installed:

  • python 2.5 or greater
  • numpy
  • scipy
  • matplotlib
  • mpmath
  • ase
  • gmpy (optional - gives 2-3x speedup)

You can check that the dependencies are installed by starting a python session and importing them:

bash $ python Python >2.5 (....)
Type "help", "copyright", "credits" or "license" for more information.
>>>import mpmath
>>>import matplotlib
>>>import numpy
>>>import scipy
>>>import ase
>>>import gmpy

After ensuring that you have the dependencies, change to the directory where you want the CatMAP source to be installed (we will call it $CATMAP):

$ cd $CATMAP
$ git clone

This will clone the repository into a directory called “catmap”. Next, you need to add the location of the CatMAP source code to the $PYTHONPATH environment variable so that python knows where to find it:





You can verify that everything went smoothly by importing the CatMAP module:

$ python >>>import catmap

Documentation (this wiki) is located in the catmap/docs folder, and is available online at The best place to start learning how to use the code is the Tutorials.