Hello Christoph, Many thanks for your reply. Fixed my silly inaccuracy in the -DGMX_INCLUDE variable. However, the error is still there.
-- Checking for module 'libvotca_tools' -- Package 'libvotca_tools', required by 'virtual:world', not found -- Intel(R) MKL could not be found. -- Checking for module 'libgromacs_d' -- Package 'libgromacs_d', required by 'virtual:world', not found -- Checking for module 'libgromacs' -- Package 'libgromacs', required by 'virtual:world', not found -- 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) Any idea of what can be causing the error? Thank you. Cheers, Davide On Friday, August 31, 2018 at 2:39:54 PM UTC+2, Christoph Junghans wrote: > > On Fri, Aug 31, 2018 at 4:39 AM Davide Mercadante <[email protected] > <javascript:>> 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 <[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 -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]. > >> > 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. > >> > >> > >> > >> -- > >> 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] <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.
