[Wien] libxc 5.0.0

sherif Yehia sherifyehia2017 at gmail.com
Sat Jun 20 14:03:31 CEST 2020


Dear Gavin

  I tried libxc version 5 with this commend
./configure FC=ifort --prefix=$LIBXCDIR
I get this error
checking for the size of a Fortran integer... configure: error: in
`/home/sherifyehia/Desktop/comp/XC/libxc-5.0.0':
configure: error: f90 program to find the size of a Fortran integer failed
when I put FC =gfortran  it give no error
But again I have problem to recompile lapw0
Can anyone advise how to solve this problem?
Thank you



On Sat, Jun 13, 2020 at 11:02 PM Gavin Abo <gsabo at crimson.ua.edu> wrote:

> The libxc website [1] has a new version 5.0.0, but it doesn't compile with
> WIEN2k (version 19.2).  I have linked in libxc 4.3.4 from [2] instead.
> Does anyone have a patch for using the version 5.0.0?
>
> [1] https://www.tddft.org/programs/libxc/download/
>
> [2] https://www.tddft.org/programs/libxc/download/previous/
>
> Thanks,
>
> Gavin
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