ABINIT Discussion Forums

Dear all users
i'm trying install Abinitgui

in the 6th stage of the installation python_install.txt:

6) Setup configuration file $HOME/.abinit/abipy/abipyrc

I do not understand what should I do?
can you help me?

thanks a lot

Dear moones,

You can simply create an empty file at this path : $HOME/.abinit/abipy/abipyrc

Otherwise, in this file, you can specify several configuration options for Abipy. If you want to know more, please refer to the Abipy project.

Thanks for using the GUI

Yannick

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 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 …

Creating a file this one: $HOME/.abinit/abipy/abipyrc might help you get it done.
Thanks for the feedback.

Oh! I was about to create new topic but saw accidentally that problem is solved here. Cool. Thank you all!