Download and install ASE

Requirements

  1. Python 2.2 or later is required. Python is available from http://www.python.org.
  2. Numeric Python.

    Use the latest version 24.2.

  3. Scientific Python (hhttp://dirac.cnrs-orleans.fr/ScientificPython).
  4. Rasmol (http://www.openrasmol.org/)

    A rasmol src and binary rpm can be use for installing Rasmol on linux.

    You can run ASE without RasMol, you just won't be able to plot atoms with the RasMol plotter.

  1. Gnuplot ??? XXXXXX

Installation

From tar file

  1. The latest version of Campos ASE is version 2.3. Get it here: CamposASE-2.3.tar.gz
  1. Unpack the tarball and go to the CamposASE-x.y directory:

    [hugo@cpu1 hugo]$ cd CamposASE-x.y
  2. Install with the standard:

    [hugo@cpu1 CamposASE-x.y]$ python setup.py install
  3. Make sure that everything works by running the test suite:

    [hugo@cpu1 CamposASE-x.y]$ cd ASE/Tests
    [hugo@cpu1 CamposASE-x.y]$ python test.py
  1. To get started, point your browser at the CamposASE homepage (http://wiki.fysik.dtu.dk/ase).

Step 3 requires root permissions - if you don't have that, you will need to put the CamposASE-x.y directory in your PYTHONPATH environment variable, and use your local copy of the code.

From CVS

For CVS access to the CamposASE code see the Campos CVS page. After you have obtained the code via CVS, go to step 3 in the previus section to install the code.

Gentoo Linux

Installation on Gentoo Linux is described in the document Installing CAMPOS software on Gentoo Linux.

License

The CAMPOS Atomic Simulation Environment is released under the GNU Public License version 2. See the file LICENSE which accompanies the downloaded files, or see the license at GNU's web server at http://www.gnu.org/licenses/gpl.html.