This time you are missing (or CMake can not find) OpenMP, which is required for Gromacs.
If you are on Ubutu, you probably need to install libomp-dev or something similar. cheers Marvin [email protected] schrieb am Donnerstag, 27. Januar 2022 um 16:27:21 UTC+1: > Thanks, I fixed that... I'm trying to compile votca with DGMX_MPI=OFF, but > still I get the following error: > > CMake Error at > /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindPackageHandleStandardArgs.cmake:230 > > (message): > > Could NOT find OpenMP_CXX (missing: OpenMP_CXX_FLAGS > OpenMP_CXX_LIB_NAMES) > > Call Stack (most recent call first): > > > /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindPackageHandleStandardArgs.cmake:594 > > (_FPHSA_FAILURE_MESSAGE) > > > /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindOpenMP.cmake:544 > > (find_package_handle_standard_args) > > CMakeLists.txt:132 (_find_package) > > tools/CMakeModules/FindMKL.cmake:330 (find_package) > > CMakeLists.txt:132 (_find_package) > > tools/CMakeLists.txt:79 (find_package) > > > Thank you, > > -Maryam > > On Wednesday, January 26, 2022 at 3:31:19 PM UTC-5 Christoph Junghans > wrote: > >> On Wed, Jan 26, 2022 at 12:31 [email protected] < >> [email protected]> wrote: >> >>> Hi, >>> >>> I'm trying to compile the new version of votca on my mac using cmake -B >>> builddir -DBUILD_XTP=ON >>> -DCMAKE_INSTALL_PREFIX=/Users/maryamsadeghi/Downloads DGMX_MPI=OFF >>> DBUILD_SHARED_LIBS=ON votca. I'm getting the following error: >>> >>> CMake Error at >>> /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindPackageHandleStandardArgs.cmake:230 >>> >>> (message): >>> >>> Could NOT find Libxc (missing: Libxc_INCLUDE_DIR Libxc_LIBRARY) >>> >>> Call Stack (most recent call first): >>> >>> >>> /Applications/CMake.app/Contents/share/cmake-3.21/Modules/FindPackageHandleStandardArgs.cmake:594 >>> >>> (_FPHSA_FAILURE_MESSAGE) >>> >>> xtp/CMakeModules/FindLibxc.cmake:37 (find_package_handle_standard_args) >>> >>> CMakeLists.txt:152 (_find_package) >>> >>> xtp/CMakeLists.txt:40 (find_package) >>> >>> Could you please help with this? >>> >> Look like you are missing the libxc and it’s development package. Try to >> install that. >> >> Christoph >> >> -Maryam >>> >>> -- >>> Join us on Slack: https://join.slack.com/t/votca/signup >>> --- >>> 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 view this discussion on the web visit >>> https://groups.google.com/d/msgid/votca/216b9c92-b7fc-4a6c-9772-6aa5a19e6496n%40googlegroups.com >>> >>> <https://groups.google.com/d/msgid/votca/216b9c92-b7fc-4a6c-9772-6aa5a19e6496n%40googlegroups.com?utm_medium=email&utm_source=footer> >>> . >>> >> -- >> Christoph Junghans >> Web: http://www.compphys.de >> > -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/45d381bc-c054-4a33-8096-0ccf95b14aben%40googlegroups.com.
