python_install.txt

You will find in this file the different packages to install
 in order to have the "post-processing" tools working on
  Ubuntu 13.04 / Ubuntu 12.10
  (Not yet tested on other systems)

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Setup the environment of python for the GUI !

1) Python 2.7

(currently version 2.7.3)

 if python is not installed yet, install it with the paquet manager

  sudo apt-get install python2.7 python2.7-dev

2) Install PIP (for dependencies)

  sudo apt-get install python-pip

2) Install numpy (1:1.6.1), scipy (0.9.0), matplotlib (1.1.1)

  sudo apt-get install python-numpy python-scipy python-matplotlib

 (Working with scipy 0.12 or scipy 0.9)
 
 Some problems can be encountered with scipy 0.11. Try installing with pip :

  sudo pip install scipy

3) Install dependencies :

For pymatgen

  sudo pip install pyhull
  sudo pip install pybtex (Install also pyYAML...)
  sudo pip install PyCifRW
  sudo pip install requests

For abipy

  sudo apt-get install libhdf5-serial-dev
  sudo apt-get install libnetcdf-dev
  sudo apt-get install python-netcdf
  sudo pip install netCDF4

3) Download pymatgen.tar.gz, abipy.tar.gz
  from http://www.flavio.be website

4) Untar them

5) Create workdir :

  mkdir -p $HOME/workdir/lib/python2.7/site-packages

5) Add workdir to the .bashrc

  echo “export PYTHONPATH=$HOME/workdir/lib/python2.7/site-packages/:$PYTHONPATH” >> ~/.bashrc

5) Install pymatgen & abipy in workdir

  cd pymatgen

  python setup.py install --prefix=$HOME/workdir

  cd abipy

  python setup.py install --prefix=$HOME/workdir

6) Setup configuration file $HOME/.abinit/abipy/abipyrc (create an empty file if you don't want to use more from abipy)

7) Remove first line of bashrc, which prevents the execution of bashrc when not run interactively …

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# If not running interactively, don't do anything
# [ -z "$PS1" ] && return
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To make the sources, run “ant standalone” with jdk (openjdk-7-jdk) on my test-machine.