.. _download:

================================
Installation
================================

Download
================================

This library is an extension of `ASE`_.
A working version must be installed before use of TSASE.

A read-only copy of the code can be anonymously checked out 
of the subversion repository with the following command:


.. code-block:: sh

    svn co https://theory.cm.utexas.edu/svn/tsase


If you are a developer you can checkout the code using the command:

.. code-block:: sh

    svn co svn+ssh://username@theory.cm.utexas.edu/svn/tsase

This will fetch a copy of the latest code to a local directory named tsase. 

The tsase code can also be download directly at `tarfile`_.


Build Calculators
=====================

Assuming that TSASE was downloaded to ``$HOME``, go to ``$HOME/tsase/tsase`` and run:

.. code-block:: sh

    make

By default, the GNU compiler collection is used for the compilation. If an alternate
compiler suite is desired (for instance, Intel compilers), edit the value of the ``FCOMP``
variable in ``$HOME/tsase/tsase/Makefile`` to ``intelem``.

To list possible values for ``FCOMP``, run the following:

.. code-block:: sh

    f2py -c --help-fcompiler



Environment Variables 
=====================

Once you have a local copy of tsase, include the top directory to your ``$PYTHONPATH``.
To use the independent scripts, it is recommended to add ``$HOME/tsase/tsase/bin`` to your ``$PATH``:

.. code-block:: sh
    
    export PYTHONPATH=$HOME/tsase:$PYTHONPATH
    export PATH=$HOME/tsase/bin:$PATH

For more information on subversion read its `online documentation`_.

.. _ASE: https://wiki.fysik.dtu.dk/ase/overview.html
.. _online documentation: http://svnbook.red-bean.com/en/1.5/index.html
.. _tarfile: http://theory.cm.utexas.edu/code/tsase.tgz