help for install Abinitgui

abipy, abiflows, pymatgen, atomate, fireworks

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Posts: 8
Joined: Tue Aug 19, 2014 4:51 pm

help for install Abinitgui

Post by moones » Tue Aug 26, 2014 8:57 am

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

Posts: 9
Joined: Fri Sep 02, 2011 8:06 am

Re: help for install Abinitgui

Post by ygillet » Tue Aug 26, 2014 10:54 am

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


Posts: 1
Joined: Wed Dec 10, 2014 12:03 pm

Re: help for install Abinitgui

Post by AndrewStanley » Wed Dec 10, 2014 12:09 pm

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 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 install --prefix=$HOME/workdir

cd abipy

python 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 …

Posts: 1
Joined: Thu Mar 26, 2015 3:59 pm

Re: help for install Abinitgui

Post by SharrySteve1 » Thu Mar 26, 2015 4:08 pm

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

Posts: 1
Joined: Thu Sep 28, 2017 10:25 am
Location: Newton, IA, USA

Re: help for install Abinitgui

Post by Crostimare » Thu Sep 28, 2017 10:30 am

Oh! I was about to create new topic but saw accidentally that problem is solved here. Cool. Thank you all!
Writing research papers is such an exhausting work! :(