Indeed, compiling Libxc-5.0.0 may be difficult or impossible. For instance, with openSUSE, it is only with the most recent openSUSE version that I could compile (with ifort) Libxc-5.0.0. By the way, have you executed autoreconf -i before ./configure FC=ifort --prefix=$LIBXCDIR
Concerning lapw0: 1) You need to make changes in two Fortran files in SRC_lapw0 before compiling, as explained here: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2020-June/030839.html 2) Libxc and lapw0 needs to be compiled with the same compiler. From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks <laurence.ma...@gmail.com> Sent: Saturday, June 20, 2020 4:13 PM To: A Mailing list for WIEN2k users Subject: Re: [Wien] libxc 5.0.0 This appears to be a bug in the autoconfig scripting of libxc. You should contact the libxc developers or their list for help. Beyond this not being a Wien2k issue, autoconf is complex [1]. [1] It looks like they created a test code in aclocal or similar to look for ia32/64 etc which only works for gfortran. This stuff is NOT simple! _____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Sat, Jun 20, 2020, 09:04 sherif Yehia <sherifyehia2...@gmail.com> wrote: Dear Gavin I tried libxc version 5 with this commend ./configure FC=ifort --prefix=$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 <gs...@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 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html _______________________________________________ Wien mailing list Wien@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$ _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html