help for install Abinitgui

Graphical user interfaces and scripting environments for Abinit.
Post Reply
moones
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

ygillet
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

Yannick

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

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 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 …

SharrySteve1
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.

Crostimare
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! :(

mpopkin
Posts: 1
Joined: Sat Nov 10, 2018 9:48 am

Re: help for install Abinitgui

Post by mpopkin » Sat Nov 10, 2018 9:52 am

Thanks for the answers guys, very helpful
Finding the best digital piano on pianopenguin

Post Reply