[QE-users] configure error: Could not find required libxc library.

Fabrizio Ferrari ferrariruffino.fz at gmail.com
Fri Jul 3 08:33:04 CEST 2020

Hi Jibiao,
please do this:

1-configure without any libxc flag;
2-go to the make.inc file in the main folder and add the various flags to
DFLAGS, IFLAGS and LD_LIBS by following the comments inside;
3-compile as usual.

This should answer to both your emails
Best regards,

On Fri, Jul 3, 2020 at 5:18 AM Jibiao Li <jibiaoli at foxmail.com> wrote:

> Hi, All
> I have installed libxc 5.0.0 and added the path to .bashrc file (export
> LD_LIBRARY_PATH=/home/yons/codes/libxc-5.0.0/lib:$LD_LIBRARY_PATH). Then I
> tried to configure QE develop with the following commands, but it can not
> found the libxc library. I really have no idea about resolving this error.
> Everything seems correct to me. but ...
> ./configure CC=gcc FC=ifort MPIF90=mpif90 --with-libxc
> --with-libxc-prefix=/home/yons/codes/libxc-5.0.0
> --with-libxc-include=/home/yons/codes/libxc-5.0.0/include
> --prefix=/home/yons/codes/espresso-develop
> checking whether Fortran files must be preprocessed... no
> checking for library containing dgemm... -lmkl_intel_lp64
> setting BLAS_LIBS... -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
> checking FFT...
> checking for libxc... no (-I/home/yons/codes/libxc-5.0.0/include
> -L/home/yons/codes/libxc-5.0.0/lib -lxcf90 -lxc)
> configure: error: Could not find required libxc library.
> ------------------------------
> *Dr. Jibiao Li, *
> *Department of Material Science and Engineering*
> *Yangtze Normal University*
> *Juxian Dadao 16#, Fuling, Chongqing, China*
> *Email: jibiaoli at yznu.edu.cn <jibiaoli at yznu.edu.cn>, jibiaoli at foxmail.com
> <jibiaoli at foxmail.com>, jibiao.li at hotmail.com <jibiao.li at hotmail.com>*
> *Homepage: https://www.researchgate.net/profile/Jibiao_Li
> <https://www.researchgate.net/profile/Jibiao_Li>*
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