[CP2K-user] [CP2K:19489] Installation issues

Hervé Tajouo Tela tajouotela1990 at gmail.com
Thu Nov 9 18:14:23 UTC 2023


Dear all,

I am a new cp2k user. I downloaded the package and when i want to compile 
form "cp2k-master/tools/toolchain" i encounted some issues:

1-  Using this command "bash install_cp2k_toolchain.sh 
--with-libxsmm=install --with-openblas=system --with-fftw=system 
--with-reflapack=no  --enable-cuda"
MPI is detected and it appears to be OpenMPI
ERROR: (install_cp2k_toolchain.sh) Unknown flag: --with-reflapack=no

2- I changed it using "./install_cp2k_toolchain.sh" and this error message

Environment variable LIBXC_ROOT is set to:

    /home/herve/cp2k/tools/toolchain/install/libxc-6.2.2

  For compatibility, find_package is ignoring the variable, but code in a
  .cmake module might still use it.
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Error at 
/home/herve/cp2k/tools/toolchain/install/cmake-3.27.6/share/cmake-3.27/Modules/FindPackageHandleStandardArgs.cmake:230 
(message):
  Could NOT find PkgConfig (missing: PKG_CONFIG_EXECUTABLE)
Call Stack (most recent call first):
  
/home/herve/cp2k/tools/toolchain/install/cmake-3.27.6/share/cmake-3.27/Modules/FindPackageHandleStandardArgs.cmake:600 
(_FPHSA_FAILURE_MESSAGE)
  
/home/herve/cp2k/tools/toolchain/install/cmake-3.27.6/share/cmake-3.27/Modules/FindPkgConfig.cmake:99 
(find_package_handle_standard_args)
  cmake/modules/FindLibXC.cmake:2 (find_package)
  CMakeLists.txt:131 (find_package)


-- Configuring incomplete, errors occurred!
make: *** src: No such file or directory.  Stop.
ERROR: (./scripts/stage8/install_sirius.sh, line 173) Non-zero exit code 
detected.

Please can someone help me?

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