On Fri, Oct 23, 2020, 05:15 sandipan c <[email protected]> wrote:
> Thanks Christoph for your response. > > I have successfully installed a newer version of eigen3 package. Now, I > get the following error message regarding gromacs version being too old: > > -- 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: > CMake Error at csg/CMakeModules/FindGROMACS.cmake:58 (message): > Could not find a suitable gromacs library. gmx_version is not defined in > the gromacs library, that is very very strange, take a look at the error > message in > > /media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log > to find out what was going wrong. This most likely means that your > gromacs > version is too old, we need at least gromacs 2016! > Call Stack (most recent call first): > CMakeLists.txt:112 (_find_package) > csg/CMakeLists.txt:87 (find_package) > > > -- Configuring incomplete, errors occurred! > See also > "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeOutput.log". > See also > "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log". > > --------------------------------------------- > I have installed all the dependencies and now I have separately installed > the latest version of gromacs (5.1.1). However, I still get this error. > > Could you please suggest ways to resolve this? > Gromacs 5.1.1 is pretty old, please install gromacs-2019 instead. Or use -DBUILD_OWN_GMX=on, have votca build it's own gromacs version. Christoph > Thanks, > Sandipan > > On Fri, Oct 16, 2020 at 12:42 AM Christoph Junghans <[email protected]> > wrote: > >> On Thu, Oct 15, 2020 at 1:01 PM sandipan c <[email protected]> >> wrote: >> > >> > Hi, >> > >> > I am trying to install VOTCA in my desktop, having Ubuntu 16.04. I have >> installed all the dependencies. The cmake version is 3.18. But, when I type >> the command "cmake -B builddir -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON >> -DCMAKE_INSTALL_PREFIX=${prefix} votca", I get the following error: >> > >> -------------------------------------------------------------------------------------------------------------------------- >> > -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer) >> > -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts >> included with your installation of MKL. This script searches for the >> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment >> variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY >> MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY) >> > -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts >> included with your installation of MKL. This script searches for the >> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment >> variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY >> MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY) >> > -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer) >> > -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts >> included with your installation of MKL. This script searches for the >> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment >> variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY >> MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY) >> > -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts >> included with your installation of MKL. This script searches for the >> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment >> variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY >> MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY) >> > CMake Error at CMakeLists.txt:112 (_find_package): >> > Could not find a configuration file for package "Eigen3" that is >> compatible >> > with requested version "3.3.0". >> > >> > The following configuration files were considered but not accepted: >> > >> > /usr/lib/cmake/eigen3/Eigen3Config.cmake, version: unknown >> > >> > Call Stack (most recent call first): >> > tools/CMakeLists.txt:75 (find_package) >> > >> > >> > -- Configuring incomplete, errors occurred! >> > See also >> "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeOutput.log". >> > See also >> "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log". >> > ---------------------------------------------------------------------- >> > >> > Could anyone please help regarding how to solve this problem. >> You can ignore all the MKL messages, but you will need to install a >> newer version of the eigen3 package. >> >> Christoph >> > >> > Thanks, >> > Sandipan >> > >> > -- >> > 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/f4cfe23c-e9c2-40ed-b756-d158038fbbc0n%40googlegroups.com >> . >> >> >> >> -- >> 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/CAHG27e769JpSOT8tDa6FdNVc6oA54ek14%2BSUYv9GTCa0hVwO-Q%40mail.gmail.com >> . >> > -- > 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/CAB-cU%3D6c%2Bwu192YSZ4Qg%2BQMuFy8ckQqUXsfn6Ua%3Db-Acr1UY1A%40mail.gmail.com > <https://groups.google.com/d/msgid/votca/CAB-cU%3D6c%2Bwu192YSZ4Qg%2BQMuFy8ckQqUXsfn6Ua%3Db-Acr1UY1A%40mail.gmail.com?utm_medium=email&utm_source=footer> > . > -- 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. 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