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

Jibiao Li jibiaoli at foxmail.com
Fri Jul 3 05:17:19 CEST 2020


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 foxmail.com, jibiao.li at hotmail.com
Homepage: https://www.researchgate.net/profile/Jibiao_Li
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