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, Fabrizio On Fri, Jul 3, 2020 at 5:18 AM Jibiao Li <[email protected]> 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: [email protected] <[email protected]>, [email protected] > <[email protected]>, [email protected] <[email protected]>* > *Homepage: https://www.researchgate.net/profile/Jibiao_Li > <https://www.researchgate.net/profile/Jibiao_Li>* > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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