Download and install ASE
- Python 2.2 or later is required. Python is available from http://www.python.org.
Numeric Python (http://numpy.sf.net).
The latest version 24.0 does not work. XXXX CHECK THIS!
Scientific Python (http://starship.python.net/~hinsen/ScientificPython).
If you are using a Numeric version > 23.1, make sure to use the latest version of Scientific Python 2.4.9.
You can run ASE without RasMol, you just won't be able to plot atoms with the RasMol plotter.
- Gnuplot ??? XXXXXX
- The latest version of Campos ASE is version 2.3. Get it here: CamposASE-2.3.tar.gz
Unpack the tarball and go to the CamposASE-x.y directory:
[hugo@cpu1 hugo]$ cd CamposASE-x.y
Install with the standard:
[hugo@cpu1 CamposASE-x.y]$ python setup.py install
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
- 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.
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.