I'm trying to install VOTCA, but I'm facing errors I couldn't resolve after days of struggling with this error in the title.
-- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)
-- Found Boost: /usr/include (found suitable version "1.58.0", minimum required is "1.53.0") found components: program_options filesystem system
-- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)
-- Found Eigen3: /usr/lib/cmake/eigen3
-- Found Boost: /usr/include (found suitable version "1.58.0", minimum required is "1.53.0") found components: program_options filesystem system regex
-- Found Eigen3: /usr/lib/cmake/eigen3
-- Found VOTCA_TOOLS:
-- Checking for module 'libgromacs_d'
-- No package 'libgromacs_d' found
-- Found HDF5: $HOME/anaconda3/lib/libhdf5_cpp.so;$HOME/anaconda3/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/librt.so;/usr/lib/x86_64-linux-gnu/libpthread.so;$HOME/anaconda3/lib/libz.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so (found version "1.8.17") found components: CXX
-- Could NOT find LMP (missing: LMP_EXECUTABLE)
-- Could NOT find CLANG_FORMAT: Found unsuitable version "6.0.1", but required is at least "11" (found /opt/moose/llvm-6.0.1/bin/clang-format)
-- The following features have been enabled:
* BUILD_OWN_LIBINT, Build an internal version of libint
* 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
* OpenMP
* MKL
Enables accelerated performance with MKL
* TXT2TAGS
Used to build manpages
* UnixCommands
Used to build manpages
* Python (required version >= 3)
Used to build documentation files
* Doxygen
Needed to build API documentation
-- The following RECOMMENDED packages have been found:
* PkgConfig
Used to detect gromacs package
* GROMACS (required version >= 2018)
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
* ENABLE_TESTING, Enable unit tests
* ENABLE_RPATH_INJECT, Inject rpath into executables
* BUILD_OWN_GROMACS, Build an internal version of gromacs
* BUILD_CSGAPPS, Install extra app using csg
* ENABLE_REGRESSION_TESTING, Enable regression tests
-- The following OPTIONAL packages have not been found:
* CLANG_FORMAT (required version >= 11)
-- Configuring done
-- Generating done
-- Build files have been written to: VOTCA_install/builddir
/usr/bin/ld: $HOME/Downloads/amber20_src/build/AmberTools/src/boost/stage/lib/libboost_program_options.a(cmdline.o): relocation R_X86_64_32S against `.rodata' can not be used when making a shared object; recompile with -fPIC
$HOME/Downloads/amber20_src/build/AmberTools/src/boost/stage/lib/libboost_program_options.a: error adding symbols: Bad value
collect2: error: ld returned 1 exit status
tools/src/libtools/CMakeFiles/votca_tools.dir/build.make:681: recipe for target 'tools/src/libtools/libvotca_tools.so.2021' failed
make[2]: *** [tools/src/libtools/libvotca_tools.so.2021] Error 1
CMakeFiles/Makefile2:682: recipe for target 'tools/src/libtools/CMakeFiles/votca_tools.dir/all' failed
make[1]: *** [tools/src/libtools/CMakeFiles/votca_tools.dir/all] Error 2
make[1]: *** Waiting for unfinished jobs....
checking build system type... x86_64-pc-linux-gnu
checking host system type... x86_64-pc-linux-gnu
checking target system type... x86_64-pc-linux-gnu
Using standard ordering of cartesian Gaussians
Using standard ordering of solid harmonic Gaussians
Will generate standard shell quartet sets
Will generate composite evaluators for multiple integral types
Shell sets will be unrolled up to size 100
Will generate single evaluator type
Will not generate FMA instructions
Will copy integrals to the buffer
FLOP counter will not be supported
Profiling instrumentation disabled
Will support contracted integrals
checking whether make sets $(MAKE)... yes
checking whether ln -s works... yes
checking for a BSD-compatible install... /usr/bin/install -c
checking whether the C++ compiler works... yes
checking for C++ compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C++ compiler... yes
checking whether mpicxx accepts -g... yes
checking how to run the C++ preprocessor... mpicxx -E
checking for ar... ar
checking for perl... perl
checking for gnutar... no
checking for tar... tar
checking for python... python
checking for doxygen... /opt/moose/doxygen-1.8.14/bin/doxygen
checking for pdflatex... no
checking for pslatex... no
checking for dvips... no
checking for latex... no
checking for latex2html... no
checking for bibtex... no
configure: WARNING: C++ optimization options are not given! For optimum performance give CXXGENFLAGS or use --with-cxxgen-optflags configure option
checking for grep that handles long lines and -e... /bin/grep
checking for egrep... /bin/grep -E
checking for ANSI C header files... yes
checking for sys/types.h... yes
checking for sys/stat.h... yes
checking for stdlib.h... yes
checking for string.h... yes
checking for memory.h... yes
checking for strings.h... yes
checking for inttypes.h... yes
checking for stdint.h... yes
checking for unistd.h... yes
checking limits.h usability... yes
checking limits.h presence... yes
checking for limits.h... yes
checking for stdint.h... (cached) yes
checking for posix_memalign... yes
checking CXX for general C++11 support... yes
checking CXX for shared_ptr... yes
checking CXX for std::make_shared and std::allocate_shared... yes
checking CXX for type_traits... yes
checking CXX for array... yes
checking CXXGEN for general C++11 support... yes
checking gmpxx.h usability... no
checking gmpxx.h presence... no
checking for gmpxx.h... no
configure: error: cannot link against GMP C++ library. Please get the latest GMP with support for C++. It can be obtained at
gmplib.org .
CMakeFiles/Libint_build.dir/build.make:91: recipe for target 'libint/src/Libint_build-stamp/Libint_build-configure' failed
make[2]: *** [libint/src/Libint_build-stamp/Libint_build-configure] Error 1
CMakeFiles/Makefile2:561: recipe for target 'CMakeFiles/Libint_build.dir/all' failed
make[1]: *** [CMakeFiles/Libint_build.dir/all] Error 2
Makefile:135: recipe for target 'all' failed
make: *** [all] Error 2