Download and install ASE
- Python 2.2 or later is required. Python is available from http://www.python.org.
- Numeric Python. Use the latest version 24.2.
- Scientific Python from http://dirac.cnrs-orleans.fr/ScientificPython/.
Rasmol from http://www.openrasmol.org/.
You can run ASE without RasMol, you just won't be able to plot atoms with the RasMol plotter.
Gnuplot ???. Maybe the Gnuplot-Python interface from http://sourceforge.net/projects/gnuplot-py/ is needed ? If so, it should be downloaded and installed.
The gnuplot-py is defined as a requirement in the CamposASE2/setup.cfg file.
At CAMP/Niflheim we call this RPM python-gnuplot.
Python Pexpect from http://pexpect.sourceforge.net/.
The current version of Pexpect is 2.1, but at Niflheim we use an old version 0.999. Both versions can be downloaded from the above site.
The pexpect is defined as a requirement in the CamposASE2/setup.cfg file.
The usual python setup.py bdist_rpm may be used to build an RPM. However, at CAMP/Niflheim we install the Pexpect RPM under the name of python-pexpect.
- The latest version of Campos ASE is version 2.3. Get it here: campos-ase-2.3.4.tar.gz
Unpack the tarball and go to the CamposASE-x.y directory:
Install with the standard command:
python setup.py install
You can also let Python build RPMS by:
python setup.py bdist_rpm
and install the binary RPM package found in the build/bdist.linux-x86_64/rpm/RPMS/ directory (for the x86_64 architecture).
Make sure that everything works by running the test suite:
cd ASE/Tests 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 (simply cvs checkout CamposASE2). After you have obtained the code via CVS, go to step 3 in the previus section to install the code.