Regarding-Votca-Installation:

[Kankana Bhattacharjee]

Dear Sir,

I am going to install the VOTCA at "wsl" interface. While configuring., i.e 

cmake -B builddir -S votca -DBUILD_XTP=ON -DCMAKE_INSTALL_PREFIX=${prefix=/mnt/c/Users/KANKANA/Downloads}
Then, error is coming: -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts included with your installation of MKL. This script searches for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY)-- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts included with your installation of MKL. This script searches for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY)
-- Found OpenMP_CXX: -fopenmp (Required is at least version "4.5")
-- Found OpenMP: TRUE (Required is at least version "4.5")

Not able to resolve this problem. Kindly help me with this.

Thanks & Regards

Kankana Bhattacharjee

Ph. D. Scholar

Department of Chemistry

Ashoka University

Sonipat, haryana
-- HDF5: Using hdf5 compiler wrapper to determine CXX configuration
-- Could NOT find LMP (missing: LMP_EXECUTABLE)
-- Checking for module 'libxc'
--   No package 'libxc' found
CMake Error at /usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:146 (message):
  Could NOT find Libxc (missing: Libxc_INCLUDE_DIR Libxc_LIBRARY)
Call Stack (most recent call first):
  /usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:393 (_FPHSA_FAILURE_MESSAGE)
  CMakeModules/FindLibxc.cmake:37 (find_package_handle_standard_args)
  xtp/CMakeLists.txt:7 (find_package)


-- Configuring incomplete, errors occurred!
See also "/mnt/c/Users/KANKANA/Downloads/builddir/CMakeFiles/CMakeOutput.log".
See also "/mnt/c/Users/KANKANA/Downloads/builddir/CMakeFiles/CMakeError.log".

[Christoph Junghans]

On Fri, May 19, 2023, 04:48 Kankana Bhattacharjee <kankanabhat...@gmail.com> wrote:

Dear Sir,

I am going to install the VOTCA at "wsl" interface. While configuring., i.e 

cmake -B builddir -S votca -DBUILD_XTP=ON -DCMAKE_INSTALL_PREFIX=${prefix=/mnt/c/Users/KANKANA/Downloads}
Then, error is coming: -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts included with your installation of MKL. This script searches for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY)-- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts included with your installation of MKL. This script searches for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY)

This means MKL wasn't found, but that is just a warning and can be ignored.

The actual error is below where it says libxc wasn't found!

libxc is needed for the xtp part of Votca. However if you are not interested in xtp, you can switch that off with the BUILD_XTP option.

Christoph

-- Found OpenMP_CXX: -fopenmp (Required is at least version "4.5")
-- Found OpenMP: TRUE (Required is at least version "4.5")

Not able to resolve this problem. Kindly help me with this.

Thanks & Regards

Kankana Bhattacharjee

Ph. D. Scholar

Department of Chemistry

Ashoka University

Sonipat, haryana
-- HDF5: Using hdf5 compiler wrapper to determine CXX configuration
-- Could NOT find LMP (missing: LMP_EXECUTABLE)
-- Checking for module 'libxc'
--   No package 'libxc' found
CMake Error at /usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:146 (message):
  Could NOT find Libxc (missing: Libxc_INCLUDE_DIR Libxc_LIBRARY)
Call Stack (most recent call first):
  /usr/share/cmake-3.16/Modules/FindPackageHandleStandardArgs.cmake:393 (_FPHSA_FAILURE_MESSAGE)
  CMakeModules/FindLibxc.cmake:37 (find_package_handle_standard_args)
  xtp/CMakeLists.txt:7 (find_package)


-- Configuring incomplete, errors occurred!
See also "/mnt/c/Users/KANKANA/Downloads/builddir/CMakeFiles/CMakeOutput.log".
See also "/mnt/c/Users/KANKANA/Downloads/builddir/CMakeFiles/CMakeError.log".

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