votca installation error

[venkat]

Hello 

 I was trying to install votca, but getting error as following 

---------------------------------------------

 votca]$ cmake3 -Bbuilddir -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DBUILD_OWN_GROMACS=on -DCMAKE_INSTALL_PREFIX=/opt/votca  -DCMAKE_C_COMPILER=/usr/local/bin/gcc  -DCMAKE_CXX_COMPILER=/usr/local/bin/g++

-- The CXX compiler identification is GNU 9.3.0

-- Check for working CXX compiler: /usr/local/bin/g++

-- Check for working CXX compiler: /usr/local/bin/g++ - works

-- Detecting CXX compiler ABI info

-- Detecting CXX compiler ABI info - done

-- Detecting CXX compile features

-- Detecting CXX compile features - done

-- Performing Test COMPILER_SUPPORTS-Wall

-- Performing Test COMPILER_SUPPORTS-Wall - Success

-- Performing Test COMPILER_SUPPORTS-Wextra

-- Performing Test COMPILER_SUPPORTS-Wextra - Success

-- Performing Test COMPILER_SUPPORTS-Wpedantic

-- Performing Test COMPILER_SUPPORTS-Wpedantic - Success

-- Performing Test COMPILER_SUPPORTS-Wshadow

-- Performing Test COMPILER_SUPPORTS-Wshadow - Success

-- Performing Test COMPILER_SUPPORTS-Wconversion

-- Performing Test COMPILER_SUPPORTS-Wconversion - Success

-- The C compiler identification is GNU 9.3.0

-- Check for working C compiler: /usr/local/bin/gcc

-- Check for working C compiler: /usr/local/bin/gcc - works

-- Detecting C compiler ABI info

-- Detecting C compiler ABI info - done

-- Detecting C compile features

-- Detecting C compile features - done

-- Found Git: /usr/bin/git (found version "1.8.3.1")

-- Check size of int

-- Check size of int - done

-- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)

-- 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)

-- Looking for pthread.h

-- Looking for pthread.h - found

-- Performing Test CMAKE_HAVE_LIBC_PTHREAD

-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed

-- Looking for pthread_create in pthreads

-- Looking for pthread_create in pthreads - not found

-- Looking for pthread_create in pthread

-- Looking for pthread_create in pthread - found

-- Found Threads: TRUE

-- Found Boost: /usr/include (found suitable version "1.53.0", minimum required is "1.53.0") found components: program_options filesystem system

-- Found Python: /usr/local/bin/python3.9 (found suitable version "3.9.2", minimum required is "3") found components: Interpreter

-- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)

-- 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 Eigen3: /usr/local/share/eigen3/cmake

-- Found PkgConfig: /usr/bin/pkg-config (found version "0.27.1")

-- Checking for module 'fftw3'

--   Found fftw3, version 3.3.3

-- Found FFTW3: /usr/local/lib/libfftw3.a

-- Looking for C++ include cassert

-- Looking for C++ include cassert - found

-- Looking for C++ include cmath

-- Looking for C++ include cmath - found

-- Looking for C++ include fstream

-- Looking for C++ include fstream - found

-- Looking for C++ include functional

-- Looking for C++ include functional - found

-- Looking for C++ include iostream

-- Looking for C++ include iostream - found

-- Looking for C++ include limits

-- Looking for C++ include limits - found

-- Looking for C++ include list

-- Looking for C++ include list - found

-- Looking for C++ include map

-- Looking for C++ include map - found

-- Looking for C++ include ostream

-- Looking for C++ include ostream - found

-- Looking for C++ include sstream

-- Looking for C++ include sstream - found

-- Looking for C++ include stack

-- Looking for C++ include stack - found

-- Looking for C++ include stdexcept

-- Looking for C++ include stdexcept - found

-- Looking for C++ include string

-- Looking for C++ include string - found

-- Looking for C++ include vector

-- Looking for C++ include vector - found

-- Found EXPAT: /usr/lib64/libexpat.so (found version "2.1.0")

-- Found Python: /usr/local/bin/python3.9 (found suitable version "3.9.2", minimum required is "3.5") found components: Interpreter

-- Found Boost: /usr/include (found suitable version "1.53.0", minimum required is "1.53.0") found components: program_options filesystem system regex

-- Found Eigen3: /usr/local/share/eigen3/cmake

-- Found VOTCA_TOOLS:

-- Could NOT find GMX (missing: GMX_EXECUTABLE)

-- Looking for C++ include algorithm

-- Looking for C++ include algorithm - found

-- Looking for C++ include iomanip

-- Looking for C++ include iomanip - found

-- Looking for C++ include numeric

-- Looking for C++ include numeric - found

-- Looking for C++ include cstdlib

-- Looking for C++ include cstdlib - found

-- Could NOT find HDF5 (missing: HDF5_LIBRARIES HDF5_INCLUDE_DIRS CXX) (found version "")

-- Could NOT find LMP (missing: LMP_EXECUTABLE)

-- Found Python: /usr/local/bin/python3.9 (found suitable version "3.9.2", minimum required is "3") found components: Interpreter

Traceback (most recent call last):

  File "<string>", line 1, in <module>

ModuleNotFoundError: No module named 'pytest'

-- Found OpenMP_C: -fopenmp (found suitable version "4.5", minimum required is "4.5")

-- Found OpenMP_CXX: -fopenmp (found suitable version "4.5", minimum required is "4.5")

-- Found OpenMP: TRUE (found suitable version "4.5", minimum required is "4.5")

-- Checking for module 'libxc'

--   No package 'libxc' found

CMake Error at /usr/share/cmake3/Modules/FindPkgConfig.cmake:467 (message):

  A required package was not found

Call Stack (most recent call first):

  /usr/share/cmake3/Modules/FindPkgConfig.cmake:647 (_pkg_check_modules_internal)

  xtp/CMakeLists.txt:49 (pkg_check_modules)

-- Configuring incomplete, errors occurred!

See also "/home/user1/software/votca/builddir/CMakeFiles/CMakeOutput.log".

See also "/home/user1/software/votca/builddir/CMakeFiles/CMakeError.log".

kindly  help to resolve this problem 

Thank you very much 

[Christoph Junghans]

That is your problem, libxc is missing! It is a new dependency of VOTCA-XTP.

If you don't intend to use votca-xtp, you can also disable it with the
-DBUILD_XTP=OFF option.

Christoph

> CMake Error at /usr/share/cmake3/Modules/FindPkgConfig.cmake:467 (message):
> A required package was not found
> Call Stack (most recent call first):
> /usr/share/cmake3/Modules/FindPkgConfig.cmake:647 (_pkg_check_modules_internal)
> xtp/CMakeLists.txt:49 (pkg_check_modules)
>
>
> -- Configuring incomplete, errors occurred!
> See also "/home/user1/software/votca/builddir/CMakeFiles/CMakeOutput.log".
> See also "/home/user1/software/votca/builddir/CMakeFiles/CMakeError.log".
>
>
>
>
> kindly help to resolve this problem
>
> Thank you very much
>

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--
Christoph Junghans
Web: http://www.compphys.de

[venkat]

Thank you sir for quick reply 

To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e51fyTOEophZT4maNDDApMZcaSMfHruHLp9n%3D03zRyz%3Dw%40mail.gmail.com.