[Wien] libxc 5.0.0

Laurence Marks laurence.marks at gmail.com
Sat Jun 20 16:13:33 CEST 2020


This appears to be a bug in the autoconfig scripting of libxc. You should
contact the libxc developers or their list for help. Beyond this not being
a Wien2k issue, autoconf is complex [1].

[1] It looks like they created a test code in aclocal or similar to look
for ia32/64 etc which only works for gfortran. This stuff is NOT simple!

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Sat, Jun 20, 2020, 09:04 sherif Yehia <sherifyehia2017 at gmail.com> wrote:

> Dear Gavin
>
>   I tried libxc version 5 with this commend
> ./configure FC=ifort --prefix=$LIBXCDIR
> I get this error
> checking for the size of a Fortran integer... configure: error: in
> `/home/sherifyehia/Desktop/comp/XC/libxc-5.0.0':
> configure: error: f90 program to find the size of a Fortran integer failed
> when I put FC =gfortran  it give no error
> But again I have problem to recompile lapw0
> Can anyone advise how to solve this problem?
> Thank you
>
>
>
> On Sat, Jun 13, 2020 at 11:02 PM Gavin Abo <gsabo at crimson.ua.edu> wrote:
>
>> The libxc website [1] has a new version 5.0.0, but it doesn't compile
>> with WIEN2k (version 19.2).  I have linked in libxc 4.3.4 from [2]
>> instead.  Does anyone have a patch for using the version 5.0.0?
>>
>> [1] https://www.tddft.org/programs/libxc/download/
>> <https://urldefense.com/v3/__https://www.tddft.org/programs/libxc/download/__;!!Dq0X2DkFhyF93HkjWTBQKhk!H8pgC8C21zExeqbQHsDOXWm-C_T0MvgvgcNZ96pERk88wAow1jSc1S2zceazL6OkuAFcvQ$>
>>
>> [2] https://www.tddft.org/programs/libxc/download/previous/
>> <https://urldefense.com/v3/__https://www.tddft.org/programs/libxc/download/previous/__;!!Dq0X2DkFhyF93HkjWTBQKhk!H8pgC8C21zExeqbQHsDOXWm-C_T0MvgvgcNZ96pERk88wAow1jSc1S2zceazL6P9uR_cgQ$>
>>
>> Thanks,
>>
>> Gavin
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> <https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!H8pgC8C21zExeqbQHsDOXWm-C_T0MvgvgcNZ96pERk88wAow1jSc1S2zceazL6MnWDWctg$>
>> SEARCH the MAILING-LIST at:
>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>> <https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!H8pgC8C21zExeqbQHsDOXWm-C_T0MvgvgcNZ96pERk88wAow1jSc1S2zceazL6OYeBizsA$>
>>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!H8pgC8C21zExeqbQHsDOXWm-C_T0MvgvgcNZ96pERk88wAow1jSc1S2zceazL6MnWDWctg$
> SEARCH the MAILING-LIST at:
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!H8pgC8C21zExeqbQHsDOXWm-C_T0MvgvgcNZ96pERk88wAow1jSc1S2zceazL6OYeBizsA$
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200620/c9d36cc5/attachment.html>


More information about the Wien mailing list