Thanks Christoph, Adding -DCMAKE_DISABLE_FIND_PACKAGE_LLVM=ON. to cmake worked. but then a new error came in next "make" step. *make -j8* Screen output:
/usr/bin/ld: cannot find -lmkl_core /usr/bin/ld: cannot find /apps/FFTW/fftw-3.3.8/lib: File format not recognized collect2: error: ld returned 1 exit status tools/src/libtools/CMakeFiles/votca_tools.dir/build.make:618: recipe for target 'tools/src/libtools/libvotca_tools.so.7' failed make[2]: *** [tools/src/libtools/libvotca_tools.so.7] Error 1 CMakeFiles/Makefile2:214: recipe for target 'tools/src/libtools/CMakeFiles/votca_tools.dir/all' failed make[1]: *** [tools/src/libtools/CMakeFiles/votca_tools.dir/all] Error 2 Makefile:129: recipe for target 'all' failed make: *** [all] Error 2 Thank you in advance for your time. Pragati On Wed, May 20, 2020 at 6:15 PM Christoph Junghans <[email protected]> wrote: > On Wed, May 20, 2020 at 6:41 AM Pragati Sharma <[email protected]> > wrote: > > > > Dear Votca users/developers, > > > > I am trying to build votca on my machine using cmake and following the > instructions provided in the README.md file. > > > > Briefly, I get into the master branch directory and create a build > directory and enter it (mkdir build && cd build). > > > > I then run the cmake command as follows: > > > > cmake -DBUILD_CSGAPPS=ON > -DFFTW3_INCLUDE_DIR=/apps/FFTW/fftw-3.3.8/include > -DFFTW3_LIBRARY=/apps/FFTW/fftw-3.3.8/lib > -DGROMACS_INCLUDE_DIR=/apps/GROMACS/gromacs-2019.0_tmpi/include > -DGROMACS_LIBRARY=/apps/GROMACS/gromacs-2019.0_tmpi/lib/libgromacs.so > -DCMAKE_INSTALL_PREFIX=/apps/VOTCA/votca-wdgromacs/ .. > > > > however I get the following errors which I can't understnd. > > > > Am I missing anything? > > Could you please help me to solve the problem? > > > > This is the output of cmake: > > -- The C compiler identification is GNU 5.4.0 > > -- The CXX compiler identification is GNU 5.4.0 > > -- Check for working C compiler: /usr/bin/cc > > -- Check for working C compiler: /usr/bin/cc -- works > > -- Detecting C compiler ABI info > > -- Detecting C compiler ABI info - done > > -- Detecting C compile features > > -- Detecting C compile features - done > > -- Check for working CXX compiler: /usr/bin/c++ > > -- Check for working CXX compiler: /usr/bin/c++ -- 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 > > -- Found Git: /usr/bin/git (found version "2.7.4") > > -- Check size of int > > -- Check size of int - done > > -- Found MKL: /opt/intel/mkl/include > > -- 'Intel OpenMP' used for MKL parallelisation > > -- Looking for pthread.h > > -- Looking for pthread.h - found > > -- Looking for pthread_create > > -- Looking for pthread_create - not found > > -- 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 > > -- Boost version: 1.58.0 > > -- Found the following Boost libraries: > > -- program_options > > -- filesystem > > -- system > > -- Found Eigen3: /usr/local/share/eigen3/cmake > > -- Found PkgConfig: /usr/bin/pkg-config (found version "0.29.1") > > -- Checking for module 'fftw3' > > -- No package 'fftw3' found > > -- Found FFTW3: /apps/FFTW/fftw-3.3.8/lib > > -- Looking for assert.h > > -- Looking for assert.h - found > > -- Looking for math.h > > -- Looking for math.h - found > > -- Looking for stdio.h > > -- Looking for stdio.h - found > > -- Looking for stdlib.h > > -- Looking for stdlib.h - found > > -- Looking for string.h > > -- Looking for string.h - 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 > > -- Looking for sqrt in m > > -- Looking for sqrt in m - found > > -- Found EXPAT: /usr/lib/x86_64-linux-gnu/libexpat.so (found version > "2.1.0") > > -- Performing Test HAVE_AIX > > -- Performing Test HAVE_AIX - Failed > > -- Could NOT find TXT2TAGS (missing: TXT2TAGS_EXECUTABLE) > > -- txt2tags not found, help cmake to find it by setting > TXT2TAGS_EXECUTABLE > > -- Found UnixCommands: /bin/bash > > -- Boost version: 1.58.0 > > -- Found the following Boost libraries: > > -- program_options > > -- filesystem > > -- system > > -- Found Eigen3: /usr/local/share/eigen3/cmake > > -- Found VOTCA_TOOLS: > > -- Checking for module 'libgromacs_d' > > -- No package 'libgromacs_d' found > > -- Checking for module 'libgromacs' > > -- Found libgromacs, version 2019 > > -- Looking for c++ gmx_version in > /apps/GROMACS/gromacs-2019.0_tmpi/lib/libgromacs.so > > -- Looking for c++ gmx_version in > /apps/GROMACS/gromacs-2019.0_tmpi/lib/libgromacs.so - found > > -- Looking for c++ gmx_is_single_precision in > /apps/GROMACS/gromacs-2019.0_tmpi/lib/libgromacs.so > > -- Looking for c++ gmx_is_single_precision in > /apps/GROMACS/gromacs-2019.0_tmpi/lib/libgromacs.so - found > > -- Looking for c++ gmx_is_double_precision in > /apps/GROMACS/gromacs-2019.0_tmpi/lib/libgromacs.so > > -- Looking for c++ gmx_is_double_precision in > /apps/GROMACS/gromacs-2019.0_tmpi/lib/libgromacs.so - not found > > -- Found GROMACS: /apps/GROMACS/gromacs-2019.0_tmpi/lib/libgromacs.so > (found suitable version "2019.0", minimum required is "2019") > > -- 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 > > -- HDF5: Using hdf5 compiler wrapper to determine C configuration > > -- Found HDF5: > /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so > (found version "1.8.16") found components: C > > -- Could NOT find LMP (missing: LMP_EXECUTABLE) > > -- Found VOTCA_CSG: > > -- Found Doxygen: /usr/bin/doxygen (found version "1.8.11") found > components: doxygen missing components: dot > > -- Could NOT find SPHINX (missing: SPHINX_EXECUTABLE) > > CMake Error at /usr/share/llvm-3.8/cmake/LLVMConfig.cmake:178 (include): > > include could not find load file: > > > > /usr/share/llvm/cmake/LLVMExports.cmake > Something seems to be wrong with your LLVM installation. try to add > -DCMAKE_DISABLE_FIND_PACKAGE_LLVM=ON. > > Christoph > > Call Stack (most recent call first): > > CMakeLists.txt:106 (_find_package) > > share/format/CMakeLists.txt:1 (find_package) > > > > > > CMake Error at /usr/share/llvm-3.8/cmake/LLVMConfig.cmake:181 (include): > > include could not find load file: > > > > /usr/share/llvm/cmake/LLVM-Config.cmake > > Call Stack (most recent call first): > > CMakeLists.txt:106 (_find_package) > > share/format/CMakeLists.txt:1 (find_package) > > > > > > -- The following features have been enabled: > > > > * BUILD_CSGAPPS, Build extra app using csg > > * BUILD_MANPAGES, Build manpages (disable for cross-compile) > > * INSTALL_RC_FILES, Install votca rc files (VOTCARC.bash etc.) > > > > -- The following OPTIONAL packages have been found: > > > > * Git > > Generated version for development version > > * MKL > > Enables accelerated performance with MKL > > * UnixCommands > > Used to build manpages > > * Doxygen > > Needed to build API documentation > > * LLVM > > Needed for automatic code formatting with clang-format > > > > -- The following RECOMMENDED packages have been found: > > > > * FFTW3 > > Enables FFT functionality > > * PkgConfig > > Used to detect fftw package > > Used to detect gromacs package > > * GROMACS (required version >= 2019) > > Used to read/write gromacs data files > > * HDF5 > > Used to read h5md data files > > > > -- The following REQUIRED packages have been found: > > > > * EXPAT > > Used for XML parsing > > * Boost (required version >= 1.53.0) > > Extended C++ libraries > > * Eigen3 (required version >= 3.3.0) > > C++ vector data structures > > * Threads > > Used for thread parallelization > > > > -- The following features have been disabled: > > > > * BUILD_XTP, Build xtp module > > * BUILD_CSG_MANUAL, Build csg-manual > > * ENABLE_TESTING, Enable unit tests > > * ENABLE_RPATH_INJECT, Inject rpath into executables > > * BUILD_OWN_GROMACS, Build an internal version of gromacs > > * ENABLE_REGRESSION_TESTING, Enable regression tests > > > > -- The following OPTIONAL packages have not been found: > > > > * TXT2TAGS > > Used to build manpages > > * Clang > > Needed for automatic code formatting with clang-format > > > > -- Configuring incomplete, errors occurred! > > > > I have attached a cmakeError.log file also > > > > > > Thank you in advance for your time. > > Pragati > > > > -- > > 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/da59f684-c0e1-4088-86af-ec12610ada8f%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/CAHG27e794hKbeTaw49-0KZMjWyrvRN6foKSNs4730wV-QRBvrw%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. 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