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Requirements for ASE
====================
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--------------------
Requirements for ASE
--------------------
The following packages are required for basiv ASE functionality:
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The following packages are optional, since they enable the use of some specific external tools.
You only need to install these tools if you want to use the extra tools mentioned:
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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.
5) **Gnuplot**. ASE can use *Gnuplot* via the Gnuplot-Python interface from `http://sourceforge.net/projects/gnuplot-py/`_.
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   The current version of Pexpect is 2.1, but at Niflheim we use an old version 0.999.    The current version of *Pexpect* is 2.1, but at Niflheim we use an old version 0.999.
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   At CAMP/Niflheim we install the *Pexpect* RPM under the name of *python-pexpect*.
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   The *pexpect* is defined as a requirement in the ``CamposASE2/setup.cfg`` file.    RPM packages for *Pexpect* can be found on
   `rpmfind <http://www.rpmfind.net/linux/rpm2html/search.php?query=pexpect&submit=Search+...&system=&arch=>`_.
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   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*.
7) **Matplotlib** (Jens Jørgen ?).
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Installation of a Python-based package
======================================
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------------------- A Python-based package such as ASE or any of the above mentioned extra packages are usually downloaded as a tar-ball
or from a CVS repository.

In order to install the package you have two options (both require superuser priviledges):

1. Install as a Python package::

      python setup.py install

2. Build an RPM package and install it on one or many machines::

      python setup.py bdist_rpm

   You have to locate the finished RPM package after building, it may be in the ``dist/`` subdirectory if correctly implemented,
   or in another directory such as ``build/bdist.linux-x86_64/rpm/RPMS/`` (for the x86_64 architecture).

If you don't have root permissions, you will need to add the package directory to your ``PYTHONPATH``
environment variable and use your local copy of the code.
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------------------- ===================
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From tar file
-------------

1) The latest version of Campos ASE is version 2.3. Get it here: campos-ase-2.3.4.tar.gz_
The latest version of Campos ASE is version 2.3. Get the tar-ball here: campos-ase-2.3.4.tar.gz_.
For CVS access to the Campos ASE code see the `Campos CVS`_ page (simply ``cvs checkout CamposASE2``).
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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 <http://docs.python.org/dist/creating-rpms.html>`_ 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::
Make sure that everything works by running the test suite::
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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.
To get started with Campos ASE, point your browser at the `CamposASE homepage <http://wiki.fysik.dtu.dk/ase>`_.
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-------
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------- =======

Download and install ASE

Requirements for ASE

The following packages are required for basiv ASE functionality:

  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/.

The following packages are optional, since they enable the use of some specific external tools. You only need to install these tools if you want to use the extra tools mentioned:

  1. 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.

  1. Gnuplot. ASE can use Gnuplot via the Gnuplot-Python interface from http://sourceforge.net/projects/gnuplot-py/. At CAMP/Niflheim we call this RPM python-gnuplot.
  2. 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. At CAMP/Niflheim we install the Pexpect RPM under the name of python-pexpect.

    RPM packages for Pexpect can be found on rpmfind.

  3. Matplotlib (Jens Jørgen ?).

Installation of a Python-based package

A Python-based package such as ASE or any of the above mentioned extra packages are usually downloaded as a tar-ball or from a CVS repository.

In order to install the package you have two options (both require superuser priviledges):

  1. Install as a Python package:

    python setup.py install
  2. Build an RPM package and install it on one or many machines:

    python setup.py bdist_rpm

    You have to locate the finished RPM package after building, it may be in the dist/ subdirectory if correctly implemented, or in another directory such as build/bdist.linux-x86_64/rpm/RPMS/ (for the x86_64 architecture).

If you don't have root permissions, you will need to add the package directory to your PYTHONPATH environment variable and use your local copy of the code.

Installation of ASE

The latest version of Campos ASE is version 2.3. Get the tar-ball here: campos-ase-2.3.4.tar.gz. For CVS access to the Campos ASE code see the Campos CVS page (simply cvs checkout CamposASE2).

Make sure that everything works by running the test suite:

cd ASE/Tests
python test.py

To get started with Campos ASE, point your browser at the CamposASE homepage.

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.

ase2: Download (last edited 2010-10-20 09:11:16 by localhost)