Yes, I did! I was missing something indeed :). Thank you very much for your reply Christoph!
Nevertheless, I am encountering an additional problem during building due to gromacs. I have tried to link against the version of gromacs I have installed (single precision). Hence I have the following cmake command: cmake -DBUILD_CSGAPPS=ON -DBUILD_CTP=ON -DBUILD_XTP=OFF -DCMAKE_INSTALL_PREFIX=/local/home/dmlocal/programs/compiled/votca -DGMX_INCLUDE_DIR=/local/home/dmlocal/programs/compiled/gromacs2018.1_plum -DGMX_LIBRARY=/local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64 -DGROMACS_LIBRARY=/local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a -DBUILD_SHARED_LIBS=OFF -DWITH_GMX=ON .. However, although it finds the right library checks for the double precision cababilities of it and fails like this: -- Looking for c++ gmx_version in /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a -- Looking for c++ gmx_version in /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a - found -- Looking for c++ gmx_is_single_precision in /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a -- Looking for c++ gmx_is_single_precision in /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a - found -- Looking for c++ gmx_is_double_precision in /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a -- Looking for c++ gmx_is_double_precision in /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a - not found CMake Error at /usr/share/cmake-3.11/Modules/FindPackageHandleStandardArgs.cmake:137 (message): Could NOT find GROMACS: Found unsuitable version "0", but required is at least "20160000" (found /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a) Call Stack (most recent call first): /usr/share/cmake-3.11/Modules/FindPackageHandleStandardArgs.cmake:376 (_FPHSA_FAILURE_MESSAGE) csg/CMakeModules/FindGROMACS.cmake:76 (find_package_handle_standard_args) csg/CMakeLists.txt:85 (find_package) -- Configuring incomplete, errors occurred! See also "/local/home/dmlocal/programs/source/votca/build/CMakeFiles/CMakeOutput.log". See also "/local/home/dmlocal/programs/source/votca/build/CMakeFiles/CMakeError.log". The CMakeError.log says the following: etermining if the function gmx_is_double_precision exists in the /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a failed with the following output: Change Dir: /local/home/dmlocal/programs/source/votca/build/CMakeFiles/CMakeTmp Run Build Command:"/usr/bin/make" "cmTC_8b940/fast" /usr/bin/make -f CMakeFiles/cmTC_8b940.dir/build.make CMakeFiles/cmTC_8b940.dir/build make[1]: Entering directory '/local/home/dmlocal/programs/source/votca/build/CMakeFiles/CMakeTmp' Building CXX object CMakeFiles/cmTC_8b940.dir/CheckFunctionExists.cpp.o /usr/bin/g++ -DCHECK_FUNCTION_EXISTS=gmx_is_double_precision -o CMakeFiles/cmTC_8b940.dir/CheckFunctionExists.cpp.o -c /local/home/dmlocal/programs/source/votca/csg/CMakeModules/CheckFunctionExists.cpp Linking CXX executable cmTC_8b940 /usr/bin/cmake -E cmake_link_script CMakeFiles/cmTC_8b940.dir/link.txt --verbose=1 /usr/bin/g++ -DCHECK_FUNCTION_EXISTS=gmx_is_double_precision -rdynamic CMakeFiles/cmTC_8b940.dir/CheckFunctionExists.cpp.o -o cmTC_8b940 /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/lib64/libgromacs_2018_plum.a CMakeFiles/cmTC_8b940.dir/CheckFunctionExists.cpp.o: In function `main': CheckFunctionExists.cpp:(.text+0x10): undefined reference to `gmx_is_double_precision()' collect2: error: ld returned 1 exit status make[1]: *** [CMakeFiles/cmTC_8b940.dir/build.make:88: cmTC_8b940] Error 1 make[1]: Leaving directory '/local/home/dmlocal/programs/source/votca/build/CMakeFiles/CMakeTmp' make: *** [Makefile:126: cmTC_8b940/fast] Error 2 Do I need to set any additional cmake flag to tell votca that I have just a single precision version installed for GROMACS? Thank you in advance for your time and advance. Cheers, Davide On Thursday, August 30, 2018 at 6:42:39 PM UTC+2, Christoph Junghans wrote: > > On Thu, Aug 30, 2018 at 10:39 AM Davide Mercadante <[email protected] > <javascript:>> 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 -DBUILD_CTP=ON -DBUILD_XTP=ON > -DCMAKE_INSTALL_PREFIX=/local/home/dmlocal/programs/compiled/votca .. > > > > however I get the following error as if some files would be missing. I > have checked these directories and they are effectively empty from the > votca cloning.. > > > > Am I missing anything? > > Could you please help me to solve the problem? > I guess, you forget the "--recursive" option when cloning. > > Christoph > > > > This is the output of cmake: > > > > cmake -DBUILD_CSGAPPS=ON -DBUILD_CTP=ON -DBUILD_XTP=ON > -DCMAKE_INSTALL_PREFIX=/local/home/dmlocal/programs/compiled/votca .. > > -- The C compiler identification is GNU 8.1.1 > > -- The CXX compiler identification is GNU 8.1.1 > > -- 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 > > -- Found Git: /usr/bin/git (found version "2.17.1") > > CMake Error at CMakeLists.txt:81 (add_subdirectory): > > The source directory > > > > /local/home/dmlocal/programs/source/votca/tools > > > > does not contain a CMakeLists.txt file. > > > > > > CMake Error at CMakeLists.txt:88 (add_subdirectory): > > The source directory > > > > /local/home/dmlocal/programs/source/votca/csg > > > > does not contain a CMakeLists.txt file. > > > > > > CMake Error at CMakeLists.txt:99 (add_subdirectory): > > The source directory > > > > /local/home/dmlocal/programs/source/votca/csg-tutorials > > > > does not contain a CMakeLists.txt file. > > > > > > CMake Error at CMakeLists.txt:109 (add_subdirectory): > > The source directory > > > > /local/home/dmlocal/programs/source/votca/csgapps > > > > does not contain a CMakeLists.txt file. > > > > > > CMake Error at CMakeLists.txt:113 (add_subdirectory): > > The source directory > > > > /local/home/dmlocal/programs/source/votca/ctp > > > > does not contain a CMakeLists.txt file. > > > > > > CMake Error at CMakeLists.txt:120 (add_subdirectory): > > The source directory > > > > /local/home/dmlocal/programs/source/votca/xtp > > > > does not contain a CMakeLists.txt file. > > > > > > -- Found Doxygen: /usr/bin/doxygen (found version "1.8.14") found > components: doxygen dot > > -- Found CLANG_FORMAT: /usr/bin/clang-format > > -- The following OPTIONAL packages have been found: > > > > * Git > > * Doxygen > > > > -- Configuring incomplete, errors occurred! > > See also > "/local/home/dmlocal/programs/source/votca/build/CMakeFiles/CMakeOutput.log". > > > > > Thank you in advance for your time. > > > > Cheers, > > Davide > > > > > > > > -- > > 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] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at https://groups.google.com/group/votca. > > For more options, visit https://groups.google.com/d/optout. > > > > -- > Christoph Junghans > Web: http://www.compphys.de > -- 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 post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
