Hi Christoph, Thank you very much for your help, as you instructed I am installing VOTCA with cmake option -DBUILD_OWN_GROMACS=ON and have installed all the prerequisite packages, however i cant get upgrade clang_format from version 7 to 7.0.1 on my machine (ubuntu 18.04), which gives me the following error: -- The following OPTIONAL packages have not been found:
* CLANG_FORMAT (required version >= 7.0.1) -- Configuring incomplete, errors occurred! See also "/home/maryam/APPS/votca/build/CMakeFiles/CMakeOutput.log". See also "/home/maryam/APPS/votca/build/CMakeFiles/CMakeError.log". Hopefully, this will be the last error. Best Maryam On Saturday, November 2, 2019 at 9:05:37 PM UTC-7, Christoph Junghans wrote: > > > > On Sat, Nov 2, 2019, 20:37 Maryam Sadeghi <[email protected] > <javascript:>> wrote: > >> 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? >> > No, you don't have to remove them, VOTCA will just not use them during the > build. > > You might want to keep an mpi version of gromacs around to do the > simulation in parallel. > > Christoph > > 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]> 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] <javascript:>. >> To view this discussion on the web visit >> https://groups.google.com/d/msgid/votca/9ff2177b-6eba-4ea6-90dc-ced3a6eefebc%40googlegroups.com >> >> <https://groups.google.com/d/msgid/votca/9ff2177b-6eba-4ea6-90dc-ced3a6eefebc%40googlegroups.com?utm_medium=email&utm_source=footer> >> . >> > -- 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/ab6e4925-507a-44e9-81ad-054486d0455e%40googlegroups.com.
