On Fri, Aug 31, 2018 at 4:39 AM Davide Mercadante <merca...@gmail.com> wrote: > > 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: I think your GMX_INCLUDE_DIR should /local/home/dmlocal/programs/compiled/gromacs2018.1_plum/include (adding the "include" subdirectory at the end)!
Christoph > > -- 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 <merc...@gmail.com> 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 votca+un...@googlegroups.com. >> > To post to this group, send email to vo...@googlegroups.com. >> > 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 votca+unsubscr...@googlegroups.com. > To post to this group, send email to votca@googlegroups.com. > 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. 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