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 -- 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.
