1. Installation

1.1. 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.

1.2. 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.

1.3. 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

1.4. 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!

1.5. 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=~)

1.6. 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.