<div dir="auto">I would give autoreconf a 30% chance of working. At a minimum you need to also rebuild the rest of the autoscripts, and this is not trivial. I am saying this as someone who has spent time writing these scripts -- and repairing bugs in a few.<div dir="auto"><br></div><div dir="auto">I very strongly suggest that several of you report bugs to the libxc people. They should fix this. Buggy autoconf violates code standards, this is not excusable IMHO.</div><div dir="auto"><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Jun 20, 2020, 09:32 Tran, Fabien <<a href="mailto:fabien.tran@tuwien.ac.at">fabien.tran@tuwien.ac.at</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Indeed, compiling Libxc-5.0.0 may be difficult or impossible. For instance, with openSUSE,<br>
it is only with the most recent openSUSE version that I could compile (with ifort) Libxc-5.0.0.<br>
By the way, have you executed<br>
autoreconf -i<br>
before<br>
./configure FC=ifort --prefix=$LIBXCDIR<br>
<br>
Concerning lapw0:<br>
1) You need to make changes in two Fortran files in SRC_lapw0 before compiling, as explained here:<br>
<a href="https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/pipermail/wien/2020-June/030839.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!HpcFA_lvYN381__GODCkFxPuSrkKWytu5oJLGBUJJ80-8lUyDJK3sdRVs-Jb_rpZlwkzQQ$" rel="noreferrer noreferrer" target="_blank">https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/pipermail/wien/2020-June/030839.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!HpcFA_lvYN381__GODCkFxPuSrkKWytu5oJLGBUJJ80-8lUyDJK3sdRVs-Jb_rpZlwkzQQ$</a> <br>
2) Libxc and lapw0 needs to be compiled with the same compiler.<br>
<br>
<br>
From: Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank" rel="noreferrer">wien-bounces@zeus.theochem.tuwien.ac.at</a>> on behalf of Laurence Marks <<a href="mailto:laurence.marks@gmail.com" target="_blank" rel="noreferrer">laurence.marks@gmail.com</a>><br>
Sent: Saturday, June 20, 2020 4:13 PM<br>
To: A Mailing list for WIEN2k users<br>
Subject: Re: [Wien] libxc 5.0.0<br>
<br>
This appears to be a bug in the autoconfig scripting of libxc. You should contact the libxc developers or their list for help. Beyond this not being a Wien2k issue, autoconf is complex [1].<br>
[1] It looks like they created a test code in aclocal or similar to look for ia32/64 etc which only works for gfortran. This stuff is NOT simple!<br>
<br>
<br>
_____<br>
Professor Laurence Marks<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br>
<a href="http://www.numis.northwestern.edu" rel="noreferrer noreferrer" target="_blank">http://www.numis.northwestern.edu</a><br>
<br>
<br>
On Sat, Jun 20, 2020, 09:04 sherif Yehia <<a href="mailto:sherifyehia2017@gmail.com" target="_blank" rel="noreferrer">sherifyehia2017@gmail.com</a>> wrote:<br>
<br>
<br>
Dear Gavin <br>
<br>
<br>
<br>
I tried libxc version 5 with this commend <br>
<br>
./configure FC=ifort --prefix=$LIBXCDIR<br>
I get this error <br>
<br>
checking for the size of a Fortran integer... configure: error: in `/home/sherifyehia/Desktop/comp/XC/libxc-5.0.0':<br>
configure: error: f90 program to find the size of a Fortran integer failed<br>
when I put FC =gfortran it give no error <br>
<br>
But again I have problem to recompile lapw0 <br>
<br>
Can anyone advise how to solve this problem?<br>
Thank you<br>
<br>
<br>
<br>
<br>
<br>
<br>
<br>
On Sat, Jun 13, 2020 at 11:02 PM Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu" target="_blank" rel="noreferrer">gsabo@crimson.ua.edu</a>> wrote:<br>
<br>
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?<br>
[1] <a href="https://urldefense.com/v3/__https://www.tddft.org/programs/libxc/download/__;!!Dq0X2DkFhyF93HkjWTBQKhk!HpcFA_lvYN381__GODCkFxPuSrkKWytu5oJLGBUJJ80-8lUyDJK3sdRVs-Jb_rpj2CwqAw$" rel="noreferrer noreferrer" target="_blank">https://urldefense.com/v3/__https://www.tddft.org/programs/libxc/download/__;!!Dq0X2DkFhyF93HkjWTBQKhk!HpcFA_lvYN381__GODCkFxPuSrkKWytu5oJLGBUJJ80-8lUyDJK3sdRVs-Jb_rpj2CwqAw$</a> <br>
[2] <a href="https://urldefense.com/v3/__https://www.tddft.org/programs/libxc/download/previous/__;!!Dq0X2DkFhyF93HkjWTBQKhk!HpcFA_lvYN381__GODCkFxPuSrkKWytu5oJLGBUJJ80-8lUyDJK3sdRVs-Jb_rpoV6k7Dg$" rel="noreferrer noreferrer" target="_blank">https://urldefense.com/v3/__https://www.tddft.org/programs/libxc/download/previous/__;!!Dq0X2DkFhyF93HkjWTBQKhk!HpcFA_lvYN381__GODCkFxPuSrkKWytu5oJLGBUJJ80-8lUyDJK3sdRVs-Jb_rpoV6k7Dg$</a> <br>
Thanks,<br>
Gavin<br>
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</blockquote></div>