[QE-users] Compiling QE with libxc support

mkondrin mkondrin at hppi.troitsk.ru
Wed Dec 30 11:54:59 CET 2020


Dear QE developers and users,

I have tried to compile QE with libxc support but have failed.

libxc (4.3.4) was configured and 'make installed' with
./configure --enable-shared=yes --prefix=/usr/lib

in /usr/lib all required libraries are present:
$ls /usr/lib/libxc*
/usr/lib/libxc.a      /usr/lib/libxc.so.9.0.0* /usr/lib/libxcf90.so.9@
/usr/lib/libxc.la*    /usr/lib/libxcf90.a /usr/lib/libxcf90.so.9.0.0*
/usr/lib/libxc.so@    /usr/lib/libxcf90.la*
/usr/lib/libxc.so.9@  /usr/lib/libxcf90.so@


QE (6.5.0) was configured with command:
./configure --with-libxc --with-libxc-prefix=/usr/ BLAS_LIBS="-lsatlas" 
LAPACK_LIBS="-lsatlas"

but complains and exits with the message:

checking for libxc... no (-I/usr/include -L/usr/lib -lxcf90 -lxc)
configure: error: Could not find required libxc library.

I could not figure what went wrong.

Thank you in advance for any suggestions.

Sincerely yours,
Mikhail Kondrin


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