Installation
############
Disclaimer
==========
MD-Tracks is developed and tested in modern Linux environments. The
installation instructions below are given for a Linux system only. If you want
to use MD-Tracks on other operating systems such as Windows or OSX, you should
have a minimal computer geek status to get it working. We are always interested
in hearing from your installation adventures.
MolMod dependency
=================
`MolMod `_ is a Python library used by most
Python programs developed at the CMM. It must be installed before MD-Tracks can
be used or installed. Installation and download instructions can be found in the
`molmod documentation `_.
The instructions below only work if the MolMod package is installed.
External dependencies
=====================
Some software packages should be installed before MD-Tracks can be installed or
used. It is recommended to use the software package management of your Linux
distribution to install these dependencies.
The following software must be installed:
* Python 2.5, 2.6 or 2.7: http://www.python.org/
* Numpy >= 1.0: http://numpy.scipy.org/
* MatPlotLib >= 1.0: http://matplotlib.sourceforge.net/
Most Linux distributions can install this software with just a single terminal
command.
* Ubuntu 12.4::
sudo apt-get install python python-numpy python-matplotlib
* Fedora 17::
sudo yum install python numpy python-matplotlib
Installing the latest version of MD-Tracks
===========================================
The following series of commands will download the latest version of md-tracks,
and will then install it into your home directory. ::
cd ~/build/
git clone git://github.com/molmod/md-tracks.git
(cd md-tracks; ./setup.py install --home=~)
You are now ready to start using MD-Tracks!
Upgrading to the latest version of MolMod and MD-Tracks
=======================================================
In case you want to upgrade MD-Tracks to the latests development version after
a previous install, then execute the following commands (in the same directory
that was originally used to install MD-Tracks)::
cd ~/build/
(cd molmod; git pull; rm -r ~/lib*/python/molmod*; ./setup.py install --home=~)
(cd md-tracks; git pull; rm -r ~/lib*/python/tracks* ~/bin/tr-*; ./setup.py install --home=~)
Testing your installation
=========================
For the development and testing one needs to install additional packages:
* Nosetests >= 0.11: http://somethingaboutorange.com/mrl/projects/nose/0.11.2/
* Sphinx >= 1.0: http://sphinx.pocoo.org/
Most Linux distributions can install this software with just a single command:
* Ubuntu 12.4::
sudo apt-get install python-nose python-sphinx
* Debian 5::
su -
apt-get install python-nose python-sphinx
exit
* Fedora 17::
sudo yum install python-nose sphinx
* Suse 11.2::
sudo zypper install python-nose sphinx
Once these dependencies are installed, execute the following commands to run the
tests::
cd ~/build/md-tracks
nosetests -v
If some tests fail, post the output of the tests on the `MD-Tracks
mailing list `_.