On Sat, Apr 25, 2020 at 15:36 Salman Bin Kashif <[email protected]> wrote:
> Thanks. The version I had installed manually or one available in my > cluster doesn't seem to work. Would you suggest any specific boost > installation? > Try to install votca and its deps with Spack: https://github.com/votca/votca/blob/master/share/doc/INSTALL.md#spack Christoph > On Sat, Apr 25, 2020 at 4:58 PM Christoph Junghans <[email protected]> > wrote: > >> On Sat, Apr 25, 2020 at 2:03 PM Salman Bin Kashif <[email protected]> >> wrote: >> > >> > Thank you. I tried the seI guess there may be another issue. I used the >> following command: >> > >> > cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix} -DWITH_GMX=ON >> -DGROMACS_INCLUDE_DIR=/home/sbinkas/software/gromacs-2018.3/include >> -DGROMACS_LIBRARY=/home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so >> -DCMAKE_DISABLE_FIND_PACKAGE_FFTW3=ON >> -DCMAKE_PREFIX_PATH=/home/sbinkas/software .. >> > >> > cmake command runs fine. >> > >> > make -j5 throws the error >> > >> > Error looks like: >> > >> > ../libtools/libvotca_tools.so.6: undefined reference to >> `boost::program_options::option_description::format_name[abi:cxx11][ 66%] >> Built target votca_csg >> This error means your boost was compiled with a different compiler and >> possibly has no C++-11 support enabled. >> >> Christoph >> >> > make: *** [all] Error 2 >> > >> > Am I missing something? >> > >> > In the meanwhile, I will try with option 1. >> > >> > On Sat, Apr 25, 2020 at 3:46 PM Salman Bin Kashif <[email protected]> >> wrote: >> >> >> >> Thanks so much. I wiil try using the disable package option first. >> >> >> >> On Sat, Apr 25, 2020 at 2:09 PM Salman Bin Kashif < >> [email protected]> wrote: >> >>> >> >>> Following is the output of make VERBOSE-1 >> >>> >> >>> [sbinkas@node0170 build]$ make VERBOSE=1 >> >>> /software/cmake/3.10.0/bin/cmake -H/home/sbinkas/software/votca >> -B/home/sbinkas/software/votca/build --check-build-system >> CMakeFiles/Makefile.cmake 0 >> >>> /software/cmake/3.10.0/bin/cmake -E cmake_progress_start >> /home/sbinkas/software/votca/build/CMakeFiles >> /home/sbinkas/software/votca/build/CMakeFiles/progress.marks >> >>> make -f CMakeFiles/Makefile2 all >> >>> make[1]: Entering directory `/home/sbinkas/software/votca/build' >> >>> make -f >> tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make >> tools/share/man/CMakeFiles/votca_tools_manpages.dir/depend >> >>> make[2]: Entering directory `/home/sbinkas/software/votca/build' >> >>> cd /home/sbinkas/software/votca/build && >> /software/cmake/3.10.0/bin/cmake -E cmake_depends "Unix Makefiles" >> /home/sbinkas/software/votca /home/sbinkas/software/votca/tools/share/man >> /home/sbinkas/software/votca/build >> /home/sbinkas/software/votca/build/tools/share/man >> /home/sbinkas/software/votca/build/tools/share/man/CMakeFiles/votca_tools_manpages.dir/DependInfo.cmake >> --color= >> >>> make[2]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> make -f >> tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make >> tools/share/man/CMakeFiles/votca_tools_manpages.dir/build >> >>> make[2]: Entering directory `/home/sbinkas/software/votca/build' >> >>> make[2]: Nothing to be done for >> `tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. >> >>> make[2]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> [ 0%] Built target votca_tools_manpages >> >>> make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make >> tools/src/libtools/CMakeFiles/gitversion.dir/depend >> >>> make[2]: Entering directory `/home/sbinkas/software/votca/build' >> >>> cd /home/sbinkas/software/votca/build && >> /software/cmake/3.10.0/bin/cmake -E cmake_depends "Unix Makefiles" >> /home/sbinkas/software/votca >> /home/sbinkas/software/votca/tools/src/libtools >> /home/sbinkas/software/votca/build >> /home/sbinkas/software/votca/build/tools/src/libtools >> /home/sbinkas/software/votca/build/tools/src/libtools/CMakeFiles/gitversion.dir/DependInfo.cmake >> --color= >> >>> make[2]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make >> tools/src/libtools/CMakeFiles/gitversion.dir/build >> >>> make[2]: Entering directory `/home/sbinkas/software/votca/build' >> >>> cd /home/sbinkas/software/votca/build/tools/src/libtools && >> /software/cmake/3.10.0/bin/cmake >> -DTOP_SOURCE_DIR="/home/sbinkas/software/votca" -DGIT_EXECUTABLE="/bin/git" >> -P /home/sbinkas/software/votca/tools/CMakeModules/gitversion.cmake >> >>> Current git revision is 98e27cd >> >>> make[2]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> [ 0%] Built target gitversion >> >>> make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make >> tools/src/libtools/CMakeFiles/votca_tools.dir/depend >> >>> make[2]: Entering directory `/home/sbinkas/software/votca/build' >> >>> cd /home/sbinkas/software/votca/build && >> /software/cmake/3.10.0/bin/cmake -E cmake_depends "Unix Makefiles" >> /home/sbinkas/software/votca >> /home/sbinkas/software/votca/tools/src/libtools >> /home/sbinkas/software/votca/build >> /home/sbinkas/software/votca/build/tools/src/libtools >> /home/sbinkas/software/votca/build/tools/src/libtools/CMakeFiles/votca_tools.dir/DependInfo.cmake >> --color= >> >>> make[2]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make >> tools/src/libtools/CMakeFiles/votca_tools.dir/build >> >>> make[2]: Entering directory `/home/sbinkas/software/votca/build' >> >>> make[2]: Nothing to be done for >> `tools/src/libtools/CMakeFiles/votca_tools.dir/build'. >> >>> make[2]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> [ 27%] Built target votca_tools >> >>> make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make >> tools/src/tools/CMakeFiles/votca_property.dir/depend >> >>> make[2]: Entering directory `/home/sbinkas/software/votca/build' >> >>> cd /home/sbinkas/software/votca/build && >> /software/cmake/3.10.0/bin/cmake -E cmake_depends "Unix Makefiles" >> /home/sbinkas/software/votca /home/sbinkas/software/votca/tools/src/tools >> /home/sbinkas/software/votca/build >> /home/sbinkas/software/votca/build/tools/src/tools >> /home/sbinkas/software/votca/build/tools/src/tools/CMakeFiles/votca_property.dir/DependInfo.cmake >> --color= >> >>> make[2]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make >> tools/src/tools/CMakeFiles/votca_property.dir/build >> >>> make[2]: Entering directory `/home/sbinkas/software/votca/build' >> >>> [ 28%] Building CXX object >> tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o >> >>> cd /home/sbinkas/software/votca/build/tools/src/tools && >> /software/gcc/5.4.0/bin/g++ -I/home/sbinkas/software/votca/tools/include >> -I/home/sbinkas/software/votca/build/tools/include -isystem >> /home/sbinkas/software/include/eigen3 -Wall -Wextra -Wpedantic -Wshadow >> -Wconversion -O3 -DNDEBUG -std=c++14 -o >> CMakeFiles/votca_property.dir/votca_property.cc.o -c >> /home/sbinkas/software/votca/tools/src/tools/votca_property.cc >> >>> In file included from >> /home/sbinkas/software/votca/tools/include/votca/tools/eigen.h:52:0, >> >>> from >> /home/sbinkas/software/votca/tools/include/votca/tools/property.h:21, >> >>> from >> /home/sbinkas/software/votca/tools/include/votca/tools/application.h:21, >> >>> from >> /home/sbinkas/software/votca/tools/src/tools/votca_property.cc:22: >> >>> /home/sbinkas/software/include/eigen3/unsupported/Eigen/FFT:75:21: >> fatal error: fftw3.h: No such file or directory >> >>> compilation terminated. >> >>> make[2]: *** >> [tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o] Error 1 >> >>> make[2]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> make[1]: *** [tools/src/tools/CMakeFiles/votca_property.dir/all] >> Error 2 >> >>> make[1]: Leaving directory `/home/sbinkas/software/votca/build' >> >>> make: *** [all] Error 2 >> >>> >> >>> On Sat, Apr 25, 2020 at 1:59 PM Christoph Junghans < >> [email protected]> wrote: >> >>>> >> >>>> >> >>>> >> >>>> On Sat, Apr 25, 2020 at 11:45 Salman Bin Kashif < >> [email protected]> wrote: >> >>>>> >> >>>>> I have attached the printed output from cmake command herewith >> >>>> >> >>>> thanks, please do me a favor and also attach the output of “make >> VERBOSE=1”. >> >>>>> >> >>>>> >> >>>>> On Sat, Apr 25, 2020 at 1:41 PM Christoph Junghans < >> [email protected]> wrote: >> >>>>>> >> >>>>>> >> >>>>>> >> >>>>>> On Sat, Apr 25, 2020 at 11:25 Salman Bin Kashif < >> [email protected]> wrote: >> >>>>>>> >> >>>>>>> Thank you. That works too. Next error was encountered in make -j5 >> command. >> >>>>>>> >> >>>>>>> >> >>>>>>> >> /home/sbinkas/software/include/eigen3/unsupported/Eigen/FFT:75:21: fatal >> error: fftw3.h: No such file or directory >> >>>>>> >> >>>>>> it seems the fftw3 dev package is missing! >> >>>>>> >> >>>>>> Can you post the output of your CMake execution, what fftw3 found? >> >>>>>> >> >>>>>> Christoph >> >>>>>>> >> >>>>>>> >> >>>>>>> >> >>>>>>> I didn't find fftw.h in the entire eigen folder though. I am not >> sure which path should I provide then. >> >>>>>>> >> >>>>>>> On Sat, Apr 25, 2020 at 1:03 PM Christoph Junghans < >> [email protected]> wrote: >> >>>>>>>> >> >>>>>>>> On Sat, Apr 25, 2020 at 10:52 AM Salman Bin Kashif < >> [email protected]> wrote: >> >>>>>>>> > >> >>>>>>>> > Thank you. This suggestion works. The cmake command did not >> throw any fatal error this time. >> >>>>>>>> > >> >>>>>>>> > However, I would like to discuss some caveats: >> >>>>>>>> > >> >>>>>>>> > 1. Would TXT2TAGS not being found be an issue in later steps? >> Like when running the simulation? It does suggest optional. But I assume it >> may be used for generating xml files during run. >> >>>>>>>> txt2tags is only used to build the manpage (documentation), so >> no issue here. >> >>>>>>>> > >> >>>>>>>> > 2. Warning with run time library: >> >>>>>>>> > >> >>>>>>>> > Cannot generate a safe runtime search path for target >> votca_tools because >> >>>>>>>> > files in some directories may conflict with libraries in >> implicit >> >>>>>>>> > directories: >> >>>>>>>> > >> >>>>>>>> > runtime library [libexpat.so.1] in /usr/lib64 may be >> hidden by files in: >> >>>>>>>> > /home/sbinkas/software/lib >> >>>>>>>> This error basically means there are two libexpat in your >> LD_LIBRARY_PATH. >> >>>>>>>> You tell CMake to explicitly use the one from >> >>>>>>>> /home/sbinkas/software/lib by add >> >>>>>>>> -DCMAKE_PREFIX_PATH=/home/sbinkas/software. >> >>>>>>>> >> >>>>>>>> Christoph >> >>>>>>>> > >> >>>>>>>> > I kind of get where is it coming from. This >> /home/sbinkas/software/lib got added while installing one of the >> dependencies. I don't remember which one to be exact, but possibly it was >> from eigen3. So a conflict may have arisen. Should I worry about it? >> >>>>>>>> > >> >>>>>>>> > Again, I very much appreciate your help. >> >>>>>>>> > >> >>>>>>>> > -Salman >> >>>>>>>> > >> >>>>>>>> > >> >>>>>>>> > Output: >> >>>>>>>> > >> >>>>>>>> > >> >>>>>>>> > - The following OPTIONAL packages have been found: >> >>>>>>>> > >> >>>>>>>> > * Git >> >>>>>>>> > * FFTW3 >> >>>>>>>> > * UnixCommands >> >>>>>>>> > * PkgConfig >> >>>>>>>> > * HDF5 >> >>>>>>>> > * Doxygen >> >>>>>>>> > >> >>>>>>>> > -- The following REQUIRED packages have been found: >> >>>>>>>> > >> >>>>>>>> > * EXPAT >> >>>>>>>> > * Threads >> >>>>>>>> > * Boost (required version >= 1.53.0) >> >>>>>>>> > * Eigen3 (required version >= 3.3.0) >> >>>>>>>> > * GROMACS (required version >= 2016) >> >>>>>>>> > >> >>>>>>>> > -- The following OPTIONAL packages have not been found: >> >>>>>>>> > >> >>>>>>>> > * MKL >> >>>>>>>> > * TXT2TAGS >> >>>>>>>> > * CLANG_FORMAT (required version >= 7.0.1) >> >>>>>>>> > >> >>>>>>>> > -- Configuring done >> >>>>>>>> > CMake Warning at tools/src/libtools/CMakeLists.txt:5 >> (add_library): >> >>>>>>>> > Cannot generate a safe runtime search path for target >> votca_tools because >> >>>>>>>> > files in some directories may conflict with libraries in >> implicit >> >>>>>>>> > directories: >> >>>>>>>> > >> >>>>>>>> > runtime library [libexpat.so.1] in /usr/lib64 may be >> hidden by files in: >> >>>>>>>> > /home/sbinkas/software/lib >> >>>>>>>> > >> >>>>>>>> > Some of these libraries may not be found correctly. >> >>>>>>>> > >> >>>>>>>> > >> >>>>>>>> > -- Generating done >> >>>>>>>> > -- Build files have been written to: >> /home/sbinkas/software/votca/build >> >>>>>>>> > >> >>>>>>>> > On Sat, Apr 25, 2020 at 12:31 PM Christoph Junghans < >> [email protected]> wrote: >> >>>>>>>> >> >> >>>>>>>> >> On Sat, Apr 25, 2020 at 10:26 AM Salman Bin Kashif < >> [email protected]> wrote: >> >>>>>>>> >> > >> >>>>>>>> >> > This is the error associated with libgromacs: >> >>>>>>>> >> > >> >>>>>>>> >> > gmake[1]: *** No rule to make target >> `/home/sbinkas/gromacs/lib/libgromacs.so', needed by `cmTC_b3327 '. >> Stop. >> >>>>>>>> >> > 101 gmake[1]: Leaving directory >> `/home/sbinkas/software/votca/build/CMakeFiles/CMakeTmp' >> >>>>>>>> >> > 102 gmake: *** [cmTC_b3327/fast] Error 2 >> >>>>>>>> >> In the CMake output it says, it is using >> >>>>>>>> >> /home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so, >> but now it >> >>>>>>>> >> is looking for >> >>>>>>>> >> `/home/sbinkas/gromacs/lib/libgromacs.so, you might want to >> help CMake >> >>>>>>>> >> by setting >> -DGROMACS_LIBRARY=/home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so. >> >>>>>>>> >> >> >>>>>>>> >> Christoph >> >>>>>>>> >> > >> >>>>>>>> >> > On Sat, Apr 25, 2020 at 12:12 PM Christoph Junghans < >> [email protected]> wrote: >> >>>>>>>> >> >> >> >>>>>>>> >> >> On Sat, Apr 25, 2020 at 8:53 AM Salman Bin Kashif < >> [email protected]> wrote: >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > Thanks very much for being patient with me. >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > I had installed eigen3 easier which incidentally happen >> to be from the same source you pointed out. Eigen is being read properly I >> assume. >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > -- Found Eigen3: >> /home/sbinkas/software/eigen-eigen-67e894c6cd8f/build_dir >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > However, there are two more issues: >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > -- Could NOT find TXT2TAGS (missing: TXT2TAGS_EXECUTABLE) >> >>>>>>>> >> >> > txt2tags not found, help cmake to find it by setting >> TXT2TAGS_EXECUTABLE >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > I have provided the path to executable txt2tags file in >> /home/software/txt2tags-2.6/txt2tags but it still is not fould. However, >> the error was not fatal due to it. >> >>>>>>>> >> >> Don't worry this one is optional. >> >>>>>>>> >> >> >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > The error was fatal due to not having been able to read >> c++ version in gromacs library. It is reaching to the libgromacs.so file >> though. >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > The error message is as follows: >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > -- Looking for c++ gmx_version in >> /home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so >> >>>>>>>> >> >> > -- Looking for c++ gmx_version in >> /home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so - not found >> >>>>>>>> >> >> > CMake Error at csg/CMakeModules/FindGROMACS.cmake:57 >> (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/sbinkas/software/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! >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > My version is 2018.3 >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > I have used this command for cmake: >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > cmake -DBUILD_CSGAPPS=ON >> -DCMAKE_INSTALL_PREFIX=${prefix} -DWITH_GMX=ON .. >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > Providing the path to include directory and library >> also makes no difference. >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > However, I would note a caveat. The gromacs version I >> installed manually on cluster was installed with -DGMX_MPI=OFF. >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > But, the dependencies requirement suggests >> gromacs-openmpi. Can that be a reason? >> >>>>>>>> >> >> Votca needs a non-mpi version, so that should be fine. You >> only need >> >>>>>>>> >> >> gromacs with mpi at runtime to do parallel simulations. >> >>>>>>>> >> >> Have a look at the end of >> >>>>>>>> >> >> >> /home/sbinkas/software/votca/build/CMakeFiles/CMakeError.log to see >> >>>>>>>> >> >> what is wrong with your libgromacs. >> >>>>>>>> >> >> >> >>>>>>>> >> >> >> >>>>>>>> >> >> > PS: I am talking about installation on cluster now. On >> local machine Votca package got installed using apt-get but as expected, >> the simulations were super slow. >> >>>>>>>> >> >> Usually you can speed up the gromacs simulation part by >> running on all cores. >> >>>>>>>> >> >> >> >>>>>>>> >> >> Christoph >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > Thanks for all your help again. >> >>>>>>>> >> >> > >> >>>>>>>> >> >> > On Sat, Apr 25, 2020 at 9:41 AM Christoph Junghans < >> [email protected]> wrote: >> >>>>>>>> >> >> >> >> >>>>>>>> >> >> >> On Sat, Apr 25, 2020 at 7:15 AM Salman Bin Kashif < >> [email protected]> wrote: >> >>>>>>>> >> >> >> > >> >>>>>>>> >> >> >> > Okay. I will install a newer version manually and >> apt-get consider the 3.3-beta1 version to be the latest. >> >>>>>>>> >> >> >> That might help: >> >>>>>>>> >> >> >> >> https://askubuntu.com/questions/1068232/how-to-update-libeigen3-to-version-3-3-on-16-04-xenial >> >>>>>>>> >> >> >> >> >>>>>>>> >> >> >> > >> >>>>>>>> >> >> >> > My linux version is: >> >>>>>>>> >> >> >> > >> >>>>>>>> >> >> >> > Ubuntu 16.04.4 LTS >> >>>>>>>> >> >> >> Hmm, as the name suggests that Ubuntu is from 2016 and >> we will only >> >>>>>>>> >> >> >> support the latest LTS version, which currently is >> 18.04 (until later >> >>>>>>>> >> >> >> this month when 20.04 LTS is released). We just don't >> have the >> >>>>>>>> >> >> >> manpower to support anything but the latest versions of >> most Linux >> >>>>>>>> >> >> >> distributions. >> >>>>>>>> >> >> >> >> >>>>>>>> >> >> >> Plus, the gromacs version in 16.04 might be also too >> old to be used >> >>>>>>>> >> >> >> with VOTCA-1.6. >> >>>>>>>> >> >> >> >> >>>>>>>> >> >> >> Christoph >> >>>>>>>> >> >> >> > >> >>>>>>>> >> >> >> > On Sat, Apr 25, 2020 at 9:10 AM Christoph Junghans < >> [email protected]> wrote: >> >>>>>>>> >> >> >> >> >> >>>>>>>> >> >> >> >> On Fri, Apr 24, 2020 at 10:07 PM Salman Bin Kashif < >> [email protected]> wrote: >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > Thanks again for answering my questions. >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > "What version do you have installed?" >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > For eigen3, I have installed the version >> libeigen3-dev which is mentioned in the dependencies section. The version >> information for eigen3 is as follows: >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > libeigen3-dev is already the newest version >> (3.3~beta1-2) >> >>>>>>>> >> >> >> >> Yes, and 3.3-beta1 is older than 3.3.0, so you need >> a newer version of eigen3. >> >>>>>>>> >> >> >> >> >> >>>>>>>> >> >> >> >> What Linux distribution are you using? >> >>>>>>>> >> >> >> >> >> >>>>>>>> >> >> >> >> Christoph >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > -Salman >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > >> >>>>>>>> >> >> >> >> > On Sat, Apr 25, 2020 at 12:00 AM Christoph >> Junghans <[email protected]> wrote: >> >>>>>>>> >> >> >> >> >> >> >>>>>>>> >> >> >> >> >> >> >>>>>>>> >> >> >> >> >> >> >>>>>>>> >> >> >> >> >> On Fri, Apr 24, 2020, 21:00 Salman Bin Kashif < >> [email protected]> wrote: >> >>>>>>>> >> >> >> >> >>> >> >>>>>>>> >> >> >> >> >>> Thank you, Christoph. I now tried installing v >> 1.6. I am trying on local machine for now since it is easier to install all >> the dependencies. >> >>>>>>>> >> >> >> >> >>> >> >>>>>>>> >> >> >> >> >>> Initially, my cmake version was old which was >> 3.5.1 and on installing votca it was throwing an error that minimum 3.10 >> version is required for cmake. Hence I manually installed cmake version >> 3.16.5 >> >>>>>>>> >> >> >> >> >>> >> >>>>>>>> >> >> >> >> >>> I verified cmake installation by checking the >> cmake --version >> >>>>>>>> >> >> >> >> >>> >> >>>>>>>> >> >> >> >> >>> However, on installing the votca back I got the >> following error: >> >>>>>>>> >> >> >> >> >>> >> >>>>>>>> >> >> >> >> >>> 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 >> >>>>>>>> >> >> >> >> >> >> >>>>>>>> >> >> >> >> >> This error means the Eigen3 you have installed is >> too old. Eigen-3.3.0 got released back in Nov. 2016, so that isn't very new >> either. >> >>>>>>>> >> >> >> >> >> >> >>>>>>>> >> >> >> >> >> What version do you have installed? >> >>>>>>>> >> >> >> >> >> >> >>>>>>>> >> >> >> >> >> Christoph >> >>>>>>>> >> >> >> >> >> >> >>>>>>>> >> >> >> >> >>> >> >>>>>>>> >> >> >> >> >>> Would I have to install specific cmake version? >> >>>>>>>> >> >> >> >> >>> >> >>>>>>>> >> >> >> >> >>> >> >>>>>>>> >> >> >> >> >>> On Fri, Apr 24, 2020 at 9:10 PM Christoph >> Junghans <[email protected]> wrote: >> >>>>>>>> >> >> >> >> >>>> >> >>>>>>>> >> >> >> >> >>>> Votca-1.4.1 was released back in Sept. 2017 and >> we don't really >> >>>>>>>> >> >> >> >> >>>> support such old versions anymore. >> >>>>>>>> >> >> >> >> >>>> If you don't have a strong reason to use v1.4.1 >> try to use Votca-1.6. >> >>>>>>>> >> >> >> >> >>>> see >> https://github.com/votca/votca/blob/master/README.md >> >>>>>>>> >> >> >> >> >>>> >> >>>>>>>> >> >> >> >> >>>> >> >>>>>>>> >> >> >> >> >>>> On Fri, Apr 24, 2020 at 6:59 PM Salman Bin >> Kashif <[email protected]> wrote: >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > I am trying to Install Votca on cluster. In >> have loaded the required modules there. However, I am getting an error in >> terms of finding the package.I used the following command: >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > cmake -DCMAKE_INSTALL_PREFIX=${prefix} >> -DWITH_FFTW=OFF -DWITH_SQLITE3=OFF .. >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > The error message I get is: >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > -- Boost version: 1.53.0 >> >>>>>>>> >> >> >> >> >>>> > -- Found the following Boost libraries: >> >>>>>>>> >> >> >> >> >>>> > -- program_options >> >>>>>>>> >> >> >> >> >>>> > -- filesystem >> >>>>>>>> >> >> >> >> >>>> > -- system >> >>>>>>>> >> >> >> >> >>>> > -- checking for module 'gsl' >> >>>>>>>> >> >> >> >> >>>> > -- package 'gsl' not found >> >>>>>>>> >> >> >> >> >>>> > -- Could NOT find GSL (missing: GSL_LIBRARY >> GSL_INCLUDE_DIR) >> >>>>>>>> >> >> >> >> >>>> > -- Intel(R) MKL could not be found. >> >>>>>>>> >> >> >> >> >>>> > -- >> >>>>>>>> >> >> >> >> >>>> > -- The following OPTIONAL packages have been >> found: >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > * PkgConfig >> >>>>>>>> >> >> >> >> >>>> > * EXPAT >> >>>>>>>> >> >> >> >> >>>> > * Doxygen >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > -- The following REQUIRED packages have been >> found: >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > * Threads >> >>>>>>>> >> >> >> >> >>>> > * Boost (required version >= 1.39.0) >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > -- The following OPTIONAL packages have not >> been found: >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > * GSL >> >>>>>>>> >> >> >> >> >>>> > * MKL >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > -- Could NOT find TXT2TAGS (missing: >> TXT2TAGS_EXECUTABLE) >> >>>>>>>> >> >> >> >> >>>> > txt2tags not found, help cmake to find it by >> setting TXT2TAGS_EXECUTABLE >> >>>>>>>> >> >> >> >> >>>> > -- Boost version: 1.53.0 >> >>>>>>>> >> >> >> >> >>>> > -- Found the following Boost libraries: >> >>>>>>>> >> >> >> >> >>>> > -- program_options >> >>>>>>>> >> >> >> >> >>>> > -- filesystem >> >>>>>>>> >> >> >> >> >>>> > -- system >> >>>>>>>> >> >> >> >> >>>> > -- checking for module 'libvotca_tools' >> >>>>>>>> >> >> >> >> >>>> > -- package 'libvotca_tools' not found >> >>>>>>>> >> >> >> >> >>>> > CMake Error at >> /usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:108 (message): >> >>>>>>>> >> >> >> >> >>>> > Could NOT find SQLITE3 (missing: >> SQLITE3_INCLUDE_DIR) >> >>>>>>>> >> >> >> >> >>>> > Call Stack (most recent call first): >> >>>>>>>> >> >> >> >> >>>> > >> /usr/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:315 >> (_FPHSA_FAILURE_MESSAGE) >> >>>>>>>> >> >> >> >> >>>> > csg/CMakeModules/FindSQLITE3.cmake:34 >> (find_package_handle_standard_args) >> >>>>>>>> >> >> >> >> >>>> > csg/CMakeModules/FindVOTCA_TOOLS.cmake:32 >> (find_package) >> >>>>>>>> >> >> >> >> >>>> > csg/CMakeLists.txt:83 (find_package) >> >>>>>>>> >> >> >> >> >>>> Usually WITH_SQLITE3=OFF should disable the >> search for sqlite3, >> >>>>>>>> >> >> >> >> >>>> something funky is going on here as L32 in >> v1.4.1 isn't actually >> >>>>>>>> >> >> >> >> >>>> checking for sqlite3: >> >>>>>>>> >> >> >> >> >>>> >> https://github.com/votca/csg/blob/v1.4.1/CMakeModules/FindVOTCA_CSG.cmake >> >>>>>>>> >> >> >> >> >>>> Please check you are using the correct version >> of csg. >> >>>>>>>> >> >> >> >> >>>> >> >>>>>>>> >> >> >> >> >>>> Christoph >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > -- Configuring incomplete, errors occurred! >> >>>>>>>> >> >> >> >> >>>> > See also >> "/home/sbinkas/votca/build/CMakeFiles/CMakeOutput.log". >> >>>>>>>> >> >> >> >> >>>> > See also >> "/home/sbinkas/votca/build/CMakeFiles/CMakeError.log". >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > >> >>>>>>>> >> >> >> >> >>>> > -- >> >>>>>>>> >> >> >> >> >>>> > 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/187cdc4c-6526-4716-8532-d60341aec7a1%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/CAHG27e5T9%2BYxURMfUrr8nVyERKqD1yMGGRMONw09eNeUggHNew%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/CAFwyQHy-N%3DpNKX4tQ-KXSU6Aghh23Af%2Bg_M1pJiAB8KsQAi-UQ%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/CAHG27e4RwoWm-NDRSYAZPzycT%3DKAoOnK-HZ8JYVCC0Ej5X_%2BEA%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/CAFwyQHwpcxE%3D%3DZK%3D2Udw9fSFpn3d2rkCk1COVSpY5MaDQ_TpCw%40mail.gmail.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/CAHG27e7T7i1nF%3DJj_O4aPEJh6JmEomSn_mLn2kRXW9Q_N7fq%2Bg%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/CAFwyQHzzXw%2ByX-ggrOJpXS7p1y0NoWpYrT658Bky%2B9_UW3Kneg%40mail.gmail.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/CAHG27e5bXjZrLsJQUBTRAE3T%2BMs4Unrk3SzCzUp_ZZYCHXXnCA%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/CAFwyQHy91W4YdUGKiYrispvdjrfSQhSFHKrWMubs4X8uDGexTQ%40mail.gmail.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/CAHG27e7KT6hGWYuOTO%3DwVTkgpBG9DWQWes7FQ8DmB%3DexmZ0x0g%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/CAFwyQHzq6TrBChPWMEdpKKid8CoLLbb555weSia_SHzx4tX%3D5A%40mail.gmail.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/CAHG27e7mfQb%2BC5Cfq2RtFtzZiNDHXNeAR8rFqzYq%2BbAg1SGjqw%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/CAFwyQHy4vWM9Ceaw5scKKeY-fJd0kMBPYziKsLw6qarkNS%3DR9w%40mail.gmail.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/CAHG27e4dei82q8VEfajeWidKeRE4m%2BC0h9haLw6j_7qdQ60ixQ%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/CAFwyQHyvibXKzOp4e4ig-Lv331HkdZ2X9Titsjvt_ooMiqrQPg%40mail.gmail.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/CAHG27e7MxFV6fc2WDU0%3D8%2BL%3D%2B4mgaZr4LZ6APYdEqYmtsmmJpA%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/CAFwyQHym1V1DDWnoqELvtNPbFE%3D%2B7KSTE-RCKM2aVArgF5YdRw%40mail.gmail.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/CAHG27e4gh80z%3DUPL8nydGrEm3QV0HqRzYm7cozObdZJZR1QZLA%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/CAFwyQHwt0yXzKSOfqzkxmHsda6x2H5bkUrNqQm-5PyGUNX2Q6w%40mail.gmail.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/CAHG27e7fxS5eBc3B0%2BY2kNVEquJwkJpF3vkfZSFQDE6aPy-6BQ%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/CAFwyQHy8EPGUnz66WC74EXCrpkAyZ4UJjS6gjOcXZu758i-KUQ%40mail.gmail.com > <https://groups.google.com/d/msgid/votca/CAFwyQHy8EPGUnz66WC74EXCrpkAyZ4UJjS6gjOcXZu758i-KUQ%40mail.gmail.com?utm_medium=email&utm_source=footer> > . > -- 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/CAHG27e7JGVgFqQKLgvsGXnyAtBJd8JP-L8L9nJ4tcKjm7c4z5Q%40mail.gmail.com.
