Thank you very much Christoph, can you also kindly let me know if i would want to have VOTCA build its own gromacs, does that mean that I have to remove the current version of gromacs I'm using from my machine? Best Maryam
On Saturday, November 2, 2019 at 5:34:11 PM UTC-7, Christoph Junghans wrote: > > On Sat, Nov 2, 2019 at 5:56 PM Maryam Sadeghi > <[email protected] <javascript:>> wrote: > > > > I am actually planning to use votca with gromacs, can you please advise > how can i change gromacs library to a non-mpi shared version? > The easiest way is to have VOTCA build its own gromacs with > -DBUILD_OWN_GROMACS=ON. Another option is to build gromacs with > -DGMX_MPI=OFF and -DBUILD_SHARED_LIBS=ON (and > -DGMX_INSTALL_LEGACY_API=ON for gmx-2020 and newer) > > Christoph > > > > Best > > Maryam > > > > On Friday, November 1, 2019 at 9:35:27 PM UTC-7, Maryam Sadeghi wrote: > >> > >> Thank you very much, fixed that. Now I'm getting the following error > about gromacs library, I have the latest version of gromacs on my machine > though: > >> CMake Error at csg/CMakeModules/FindGROMACS.cmake:52 (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 /home/maryam/APPS/votca/build/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:69 (_find_package) > >> csg/CMakeLists.txt:73 (find_package) > >> > >> Regards, > >> Maryam > >> > >> On Fri, Nov 1, 2019 at 8:12 PM Maryam Sadeghi <[email protected] > <javascript:>> wrote: > >>> > >>> Hi > >>> I am new to votco and am following the instructions on github to > install votco-csg. I get the following error while installing VOTCA's next > generation build system: > >>> > >>> CMake Error at CMakeLists.txt:69 (_find_package): > >>> Could not find a package configuration file provided by "Eigen3" > (requested > >>> version 3.3.0) with any of the following names: > >>> > >>> Eigen3Config.cmake > >>> eigen3-config.cmake > >>> > >>> Add the installation prefix of "Eigen3" to CMAKE_PREFIX_PATH or set > >>> "Eigen3_DIR" to a directory containing one of the above files. If > "Eigen3" > >>> provides a separate development package or SDK, be sure it has been > >>> installed. > >>> Call Stack (most recent call first): > >>> tools/CMakeLists.txt:74 (find_package) > >>> > >>> > >>> -- Configuring incomplete, errors occurred! > >>> > >>> Could anyone help me to fix this issue? > >>> Thank you > >>> Maryam > >>> > >>> -- > >>> 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 view this discussion on the web visit > https://groups.google.com/d/msgid/votca/1a4c92b3-e6e1-4248-a615-ec8385ab2bbc%40googlegroups.com. > > > > > > -- > > 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 view this discussion on the web visit > https://groups.google.com/d/msgid/votca/24b70a23-f7b1-4c3e-b806-7f9c8d6db515%40googlegroups.com. > > > > > > -- > 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/9ff2177b-6eba-4ea6-90dc-ced3a6eefebc%40googlegroups.com.
