Hello,
the file CMakeLists.txt is related to the CMake builder, which you are not
using (you are using autotools), so it does not help. Try to change the
configure option like this:
--with-libxc-prefix=/usr/local/libxc
so no /lib/
Also, if you need to use a libxc gga_x functional be aware of this:
https://www.mail-archive.com/users@lists.quantum-espresso.org/msg43743.html
Cheers,
Fabrizio
CNR IOM
________________________________
From: users <users-boun...@lists.quantum-espresso.org> on behalf of Collins
Nganou <collins_nga...@cbu.ca>
Sent: Monday, August 21, 2023 9:01 PM
To: users@lists.quantum-espresso.org <users@lists.quantum-espresso.org>
Subject: [QE-users] Quantum Espresso 7.2 with LibXC 6.2.2
Hello everyone,
I am trying to install quantum espresso(QE) with Libxc-6.2.2.
Following the procedure in the user manual or the suggestion of "Paolo and
Takahiro" posted Tue Sep 6 06:08:38 CEST 2022 I fail to overcome the error in
QE configuration (see below).
Libxc-6.2.2 was installed will the following configuration: ./configure CC=nvcc
FC=nvfortran --prefix=/usr/local/libxc
and QE was: ./configure CC=nvcc FC=nvfortran --prefix=/usr/local/qe-7.2
--with-libxc=yes --with-libxc-prefix=/usr/local/libxc/lib
I received the following error message:
grep: /usr/local/libxc/lib/xc_version.h: No such file or directory
grep: /usr/local/libxc/lib/xc_version.h: No such file or directory
checking for libxc... no (-I/usr/local/libxc/lib/include
-L/usr/local/libxc/lib/lib -lxcf03 -lxc)
configure: error: Could not find required libxc library.
I check the CMakeLists.txt of QE, in principle it should detect the version of
libxc-6.2.2 at the line
else()
message(FATAL_ERROR "Failed to find Libxc package (>=5.1.2) with
Fortran enabled.")
endif()
of # LIBXC
I am looking for any suggestions thank you.
Albert Collins, PhD
Cape Breton University
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