Ok, I found it out myself. LibXC must be installed with CMake as well, it is 
not enough for the test to find the libraries and headers.
Cmake files from LibXC are also needed. Then QE's CMAke finds the Fortran03 
libraries and proceeds.


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


On 2022-04-04, 3:02 AM, "users on behalf of Grigory Shamov" 
<users-boun...@lists.quantum-espresso.org on behalf of 
grigory.sha...@umanitoba.ca> wrote:

    ********************************************************
    Caution: This message was sent from outside the University of Manitoba.
    ********************************************************

    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



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    people and expresses its concerns about the devastating
    effects that the Russian military offensive has on their
    country and on the free and peaceful scientific, cultural,
    and economic cooperation amongst peoples
    _______________________________________________
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_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

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