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.
