On Sat, Nov 2, 2019 at 5:56 PM Maryam Sadeghi <[email protected]> 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]> >> 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]. >>> 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]. > 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/CAHG27e502BnEEZ4hkn08T4ZzGxSXFQJLc2jSLz35BOtWQe1aGg%40mail.gmail.com.
