cmake -Bbuilddir -DCMAKE_CXX_COMPILER_ID=GNU -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DGROMACS_INCLUDE_DIR=/mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/include/ -DGROMACS_LIBRARY=/mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/lib64/libgromacs.a -DLIBXC_INCLUDE_DIR=/mpcdf/soft/SLE_12/packages/skylake/libxc/gcc_8-8.4.0/4.3.4/include/ -DLIBXC_LIBRARY=/mpcdf/soft/SLE_12/packages/skylake/libxc/gcc_8-8.4.0/4.3.4/lib/libxc.a -DCMAKE_INSTALL_PREFIX=${prefix} ../votca -- The C compiler identification is GNU 4.8.5 -- The CXX compiler identification is GNU -- 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 "2.26.2") -- 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: /mpcdf/soft/SLE_12/packages/skylake/boost/intel_19.1.1-19.1.1-impi_2019.7-2019.7.217/1.66.0/include (found suitable version "1.66.0", minimum required is "1.53.0") found components: program_options filesystem system -- Check size of int -- Check size of int - done -- Found MKL: /mpcdf/soft/SLE_12/packages/x86_64/intel_parallel_studio/2020.1/mkl/include -- 'Intel OpenMP' used for MKL parallelisation -- Found Eigen3: /u/forero/src/eigen/build_dir -- Found PkgConfig: /usr/bin/pkg-config (found version "0.28") -- Checking for module 'fftw3' -- Found fftw3, version 3.3.8 -- Found FFTW3: /mpcdf/soft/SLE_12/packages/skylake/fftw/gcc_8-8.4.0/3.3.8/lib/libfftw3.so -- Looking for fftw_plan_r2r_1d in /mpcdf/soft/SLE_12/packages/skylake/fftw/gcc_8-8.4.0/3.3.8/lib/libfftw3.so; -- Looking for fftw_plan_r2r_1d in /mpcdf/soft/SLE_12/packages/skylake/fftw/gcc_8-8.4.0/3.3.8/lib/libfftw3.so; - found -- 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/lib64/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 -- Found Eigen3: /u/forero/src/eigen/build_dir -- Found VOTCA_TOOLS: -- Checking for module 'libgromacs_d' -- No package 'libgromacs_d' found -- Checking for module 'libgromacs' -- No package 'libgromacs' found -- Looking for c++ gmx_version in /mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/lib64/libgromacs.a -- Looking for c++ gmx_version in /mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/lib64/libgromacs.a - found -- Looking for c++ gmx_is_single_precision in /mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/lib64/libgromacs.a -- Looking for c++ gmx_is_single_precision in /mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/lib64/libgromacs.a - found -- Looking for c++ gmx_is_double_precision in /mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/lib64/libgromacs.a -- Looking for c++ gmx_is_double_precision in /mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/lib64/libgromacs.a - not found -- Found GROMACS: /mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/lib64/libgromacs.a (found suitable version "2019.4", minimum required is "2018") -- Found GMX: /mpcdf/soft/SLE_12/packages/skylake/gromacs/gcc_8-8.4.0-impi_2019.7-2019.7.217/2019.4/bin/gmx -- 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: /mpcdf/soft/SLE_12/packages/skylake/hdf5/gcc_8-8.4.0/1.8.21/lib/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libdl.so;/usr/lib64/libm.so (found version "1.8.21") found components: C -- Could NOT find LMP (missing: LMP_EXECUTABLE) -- Found VOTCA_CSG: -- Found OpenMP_C: -fopenmp (found version "3.1") -- Found OpenMP_CXX: -fopenmp (found version "3.1") -- Found OpenMP: TRUE (found version "3.1") -- Checking for module 'libxc' -- No package 'libxc' found -- Found LIBXC: /mpcdf/soft/SLE_12/packages/skylake/libxc/gcc_8-8.4.0/4.3.4/lib/libxc.a -- HDF5: Using hdf5 compiler wrapper to determine CXX configuration -- Found HDF5: /mpcdf/soft/SLE_12/packages/skylake/hdf5/gcc_8-8.4.0/1.8.21/lib/libhdf5_cpp.so;/mpcdf/soft/SLE_12/packages/skylake/hdf5/gcc_8-8.4.0/1.8.21/lib/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libdl.so;/usr/lib64/libm.so (found suitable version "1.8.21", minimum required is "1.8") found components: CXX CMake Warning at xtp/CMakeLists.txt:49 (message): HDF5 will be used such that it is compatible with version 1.8. -- Found Boost: /mpcdf/soft/SLE_12/packages/skylake/boost/intel_19.1.1-19.1.1-impi_2019.7-2019.7.217/1.66.0/include (found suitable version "1.66.0", minimum required is "1.57.0") found components: program_options filesystem system timer chrono -- Found Eigen3: /u/forero/src/eigen/build_dir -- Found VOTCA_TOOLS: -- Found VOTCA_CSG: -- Found Doxygen: /mpcdf/soft/SLE_12/packages/x86_64/doxygen/1.8.15/bin/doxygen (found version "1.8.15") found components: doxygen missing components: dot -- Found CLANG_FORMAT: /mpcdf/soft/SLE_12/packages/x86_64/clang/10.0.0/bin/clang-format (found suitable version "10.0.0", minimum required is "10") -- The following OPTIONAL packages have been found: * Git * MKL * FFTW3 * UnixCommands * OpenMP * PkgConfig * Doxygen * CLANG_FORMAT (required version >= 10) -- The following REQUIRED packages have been found: * EXPAT * Threads * GROMACS (required version >= 2018) * LIBXC * HDF5 (required version >= 1.8) * Boost (required version >= 1.57.0) * Eigen3 (required version >= 3.3.0) -- The following OPTIONAL packages have not been found: * TXT2TAGS -- Configuring done -- Generating done