Installing on Linux
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## Installing on Linux

### Install Gnuplot

Check to see if you already have Gnuplot, by typing 'which gnuplot' in a shell window. If Gnuplot is installed, you need to make sure that it is version 4.0 or newer ('gnuplot --version').

If you need to install Gnuplot, rpms are available from rpmfind.net and gzipped tar files from SourceForge. If you are using Debian Linux, Gnuplot will be downloaded and installed if you issue the following command as root: 'apt-get install gnuplot'.

### Install Python

Check to see if you already have Python, by typing 'which python3' in a shell window.

If you have Python, type 'python3'. The version number should be displayed. If this is less than 3.1, the scripts may not work with your currently installed Python version. (Press 'CTRL+D, ENTER' to exit.)

If you need to install Python, follow the appropriate instructions for your system at www.python.org. You should install the latest version of Python 3.3 (although Python 3.1 and 3.2 also work fine with GaussSum). If you are using Debian Linux, Python will be downloaded and installed if you issue the following command as root: 'apt-get install python3 python3-tk'.

### Install Numpy

Numpy is an extension to Python that allows efficient matrix manipulation. You should try to find a binary package for your system rather than compiling it yourself (check your package management system). If you are using Debian Linux, Numpy will be downloaded and installed if you issue the following command as root: 'apt-get install python3-numpy'.

### Install Matplotlib

Matplotlib is a Python package for drawing graphs. It should be available through your package manager. You should install the version for Python3. If it is not available, you should download and build it from source. Instructions are available from the Matplotlib website.

### Install cclib

cclib is a Python package for extracting information from comp chem output files. You should install the latest version. This is most easily done with pip. You should use the Python3 version of pip which may be available through your package manager. Once installed, it can be used as follows: pip install cclib --upgrade

### Download GaussSum

Download a gzipped tar of GaussSum here. This should be untarred into a folder in the usual way, using 'tar zxvf GaussSum-3.0.2.tar.gz'.

If you wish to be added to the mailing list for information on new versions and bug fixes, please send an email to gausssum-help@lists.sourceforge.net.

### Start GaussSum

To run GaussSum, change directory to the GaussSum directory and type 'python GaussSum.py'. You can also pass a filename as an argument: for example, 'python GaussSum.py myoutputfile.out'.

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