Thank you sir for quick reply
On Fri, Apr 30, 2021 at 7:38 PM Christoph Junghans <[email protected]> wrote: > On Fri, Apr 30, 2021 at 8:05 AM venkat <[email protected]> wrote: > > > > 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 > 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 > > > > -- > > Join us on Slack: https://join.slack.com/t/votca/signup > > --- > > You received this message because you are subscribed to the Google > Groups "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send > an email to [email protected]. > > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/cbbbb524-ed56-4b81-bd7d-8a2436c7290dn%40googlegroups.com > . > > > > -- > Christoph Junghans > Web: http://www.compphys.de > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAHG27e51fyTOEophZT4maNDDApMZcaSMfHruHLp9n%3D03zRyz%3Dw%40mail.gmail.com > . > -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAJGK-av3A3C0JGNpuaWKrMvKi_sj4bQBvgbTrEDvcbotAoCf-Q%40mail.gmail.com.
