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? 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.
