Setup
=====

Requirements
------------

    * python2.6 and higher
    * `numpy <http://numpy.scipy.org/>`_ package is used by the :py:mod:`crystal` module.
    * `matplotlib <http://matplotlib.sourceforge.net/>`_ package is used by :py:mod:`vasptools.dos` and :py:mod:`vasptools.bands` modules in order to plot DOS and energy bands.

Download
--------

You can download the tarball which contains the source code at the following adress :

    * `on the repository <http://redmine.univ-pau.fr/projects/vasptools/files>`_
    * `my personal webpage <http://gvallver.perso.univ-pau.fr/>`_

If you are familiar with subversion, the adress of the repository is : https://redmine.univ-pau.fr/svn/vasptools/

Files in order to run tests are not included into the tarball or in the subversion
repository because they are too large. You can download them `on the repository <http://redmine.univ-pau.fr/projects/vasptools/files>`_.

Install procedure
-----------------

There is not automated setup procedure. You have to do the following :

1. Download the archive (see above) and extract them somewhere.

2. Assume you have extracted them into ``$HOME/myprograms/``. You should have a 
directory ``$HOME/myprograms/vasptools`` which is the root directory of vasptools. 
Now you have to add the new python modules
(*crystal*, *myxml* and *vasptools*) to your ``PYTHONPATH`` and vasptools' scripts (in the
*script* directory) to your
``PATH``. In that scope, add the following lines to your .bashrc or .profile ::

        export PYTHONPATH=$HOME/myprograms/vasptools:$PYTHONPATH
        export PATH=$HOME/myprograms/vasptools/scripts:$PATH

3. In order to check if all works correctly, first try to import vasptools module into a python 
prompt. If it works, download test files from `here <http://redmine.univ-pau.fr/projects/vasptools/files>`_
into the ``tests`` directory and unzip them if needed (use gunzip). In this directory, there is a script 
file called ``vasptoolsTests.py``. Be sure that the script file and all tests files are in the same 
directory and run the script. This script do several tests on the main features of vasptools.

4. You can now use it carrefully !

Step 2 can be done using the file ``vasptools.sh``. You will find it in the
vasptools' root directory. This is a bash script which set up environment variables (``PATH``
and ``PYTHONPATH``). You have to correctly fill the ``INSDIR`` variable with the path to
the directory where you have extracted vasptools. Then source this file in order to use vasptools.