Hey Christoph, Installing a different version of boost as well as hd5 seemed to have worked in eliminating erorr (hd5 associated error showed up later). The software got installed till final step (make install) without throwing any fatal error precisely at the same point when your message was received. Would you recommend spack option right away or if the current installation throw errors during running the tutorials?
I would like to note one thing: In navigating to csg, git checkout for/stable/fftw_fix was not being shown as available options. Available options were master, stable and various versions. I then noticed that you made changes in the tools folder from the pull link you sent. I hence tried git checkout fpr/stable/fftw_fix and it took me to a different branch, and I also manually checked for the changes in the modules you mentioned. Hence, it looks like the changes have to be made in the tools folder. Still, I want to confirm this change with you to make sure that it doesn't come to bite me later. I have another question: Which file would we need to source for loading VOTCA, like GMXRC of Gromacs. Or would we need to do something else to make use of VOTCA functions. Thanks again for helping me out. On Sat, Apr 25, 2020 at 6:31 PM Christoph Junghans <[email protected]> wrote: > > > 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 > <https://groups.google.com/d/msgid/votca/CAHG27e7JGVgFqQKLgvsGXnyAtBJd8JP-L8L9nJ4tcKjm7c4z5Q%40mail.gmail.com?utm_medium=email&utm_source=footer> > . > -- 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/CAFwyQHycbw9%3DjVO_a54J%3D3_R9HKCvdZ6rxDhKDGjORReMOJD-A%40mail.gmail.com.
