Re: [Wien] LIBXC 3.0

2017-01-04 Thread Abderrahmane Reggad 
You may download the compiled version (compiled with the compiler ifort )
from this link :

https://drive.google.com/open?id=0B-QmTukdEFfQX29LcHRSbzktYjQ

and you may follow this video for the installation of the new version of
wien2k_2016.1
https://www.youtube.com/watch?feature=player_embedded=VFrJGitdt0Y

good luck


-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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Re: [Wien] LIBXC 3.0

2017-01-03 Thread Gavin Abo 
I'm currently experiencing connection issues to the tddft.org website.  
So I'm not able to download the libxc 3.0.0 package from it too.


The following seemed to work on ubuntu 14.04 LTS.  I didn't try it on 
other Linux operating systems, but I'm thinking it might work. So you 
could give it a try.


Go to: https://launchpad.net/ubuntu/+source/libxc/3.0.0-1

Download the libxc_3.0.0.orig.tar.gz

Put it in your home directory, then in a terminal:

username@computername:~/Desktop$ cd ~
username@computername:~$ ls libxc_3.0.0.orig.tar.gz
libxc_3.0.0.orig.tar.gz
username@computername:~$ tar -xvf libxc_3.0.0.orig.tar.gz
...
username@computername:~$ mv libxc-3.0.0/ libxc/
username@computername:~$ cd libxc/
username@computername:~/libxc$ autoreconf -i --force
...
username@computername:~/libxc$ ./configure FC=ifort CC=cc 
--prefix=$HOME/libxc

...
username@computername:~/libxc$ make
...
username@computername:~/libxc$ make check
...
username@computername:~/libxc$ make install
...
username@computername:~/libxc$ make clean

If you are using gfortran, change the above FC=ifort to FC=gfortran

If you are using icc, change the above CC=cc to CC=icc

On 1/3/2017 6:10 PM, NeverGiveUp wrote:

Hi，
  I couldn't get the package of LIBXC 3.0. Who can help me to get 
that? My Email is yc...@ysu.edu.cn  or 1270838...@qq.com


Thank you very much!

Sincerely,
Yong Liu
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