missing: Libxc_INCLUDE_DIR Libxc_LIBRARY

[maryam.s...@gmail.com]

Hi,

I'm trying to compile the new version of votca on my mac using cmake -B builddir -DBUILD_XTP=ON -DCMAKE_INSTALL_PREFIX=/Users/maryamsadeghi/Downloads DGMX_MPI=OFF DBUILD_SHARED_LIBS=ON votca. I'm getting the following error:

CMake Error at /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindPackageHandleStandardArgs.cmake:230 (message):

  Could NOT find Libxc (missing: Libxc_INCLUDE_DIR Libxc_LIBRARY)

Call Stack (most recent call first):

  /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindPackageHandleStandardArgs.cmake:594 (_FPHSA_FAILURE_MESSAGE)

  xtp/CMakeModules/FindLibxc.cmake:37 (find_package_handle_standard_args)

  CMakeLists.txt:152 (_find_package)

  xtp/CMakeLists.txt:40 (find_package)

Could you please help with this?

-Maryam

[Christoph Junghans]

Look like you are missing the libxc and it’s development package. Try to install that.

Christoph 

-Maryam

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[maryam.s...@gmail.com]

Thanks, I fixed that... I'm trying to compile votca with DGMX_MPI=OFF, but still I get the following error:

CMake Error at /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindPackageHandleStandardArgs.cmake:230 (message):

  Could NOT find OpenMP_CXX (missing: OpenMP_CXX_FLAGS OpenMP_CXX_LIB_NAMES)

Call Stack (most recent call first):

  /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindPackageHandleStandardArgs.cmake:594 (_FPHSA_FAILURE_MESSAGE)

  /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindOpenMP.cmake:544 (find_package_handle_standard_args)

  CMakeLists.txt:132 (_find_package)

  tools/CMakeModules/FindMKL.cmake:330 (find_package)

  CMakeLists.txt:132 (_find_package)

  tools/CMakeLists.txt:79 (find_package)

Thank you,

-Maryam

[Marvin Bernhardt]

This time you are missing (or CMake can not find) OpenMP, which is required for Gromacs.

If you are on Ubutu, you probably need to install libomp-dev or something similar.

cheers

Marvin