[QE-users] Building QE 7.0 with LibXC?

[Grigory Shamov]

Hello,

I am trying to build Quantum Espresso with LibXC; but for some reason it fails to find it, either with CMake or configure. The error message seems to say it cannot find LibXC for Fortran 2003. I am pretty sure the library is there, built with the same compiler, and the path is in LD_LIBRARY_PATH and LIBRARY_PATH (we are using old Modules on this machine).

I am using Intel 2020.4 and OpenMPI 4.1 . Without LibXC, the code builds (but then most of the tests fail because "this functional needs LibXC"). I have used LibXC 5.1.7, built from sources , and CMake 3.16.

Any advice on building QE 7.0 with LibXC? Thank you very much!

-- 
Grigory Shamov
WestGrid Site Lead / HPC Specialist
University of Manitoba