======================== Download and install ASE ======================== .. contents:: -------------------- Requirements for ASE -------------------- 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** from `http://dirac.cnrs-orleans.fr/ScientificPython/`_. 4) **Rasmol** from `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. .. _rasmol src: ../download/rasmol-2.7.2.1.1-2.rhfc1.fys.src.rpm .. _binary rpm: ../download/rasmol-2.7.2.1.1-2.rhfc1.fys.i586.rpm .. _version 24.2: http://sourceforge.net/project/showfiles.php?group_id=1369&package_id=1351 5) **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*. 6) **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*. ------------------- Installation of ASE ------------------- From tar file ------------- 1) The latest version of Campos ASE is version 2.3. Get it here: campos-ase-2.3.4.tar.gz_ .. _campos-ase-2.3.4.tar.gz: attachment:campos-ase-2.3.4.tar.gz 2) Unpack the tarball and go to the ``CamposASE-x.y`` directory:: cd campos-ase-x.y.z 3) 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). 4) Make sure that everything works by running the test suite:: cd ASE/Tests python test.py 4) 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 (simply ``cvs checkout CamposASE2``). 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.