Thank you. I tried the seI guess there may be another issue. I used
the following command:
cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix} -DWITH_GMX=ON
-DGROMACS_INCLUDE_DIR=/home/sbinkas/software/gromacs-2018.3/include
-DGROMACS_LIBRARY=/home/sbinkas/software/gromacs-2018.3/lib64/libgromacs.so
-DCMAKE_DISABLE_FIND_PACKAGE_FFTW3=ON
-DCMAKE_PREFIX_PATH=/home/sbinkas/software ..
cmake command runs fine.
make -j5 throws the error
Error looks like:
../libtools/libvotca_tools.so.6: undefined reference to
`boost::program_options::option_description::format_name[abi:cxx11][ 66%]
Built target votca_csg
make: *** [all] Error 2
Am I missing something?
In the meanwhile, I will try with option 1.
On Sat, Apr 25, 2020 at 3:46 PM Salman Bin Kashif <[email protected]>
wrote:
> Thanks so much. I wiil try using the disable package option first.
>
> On Sat, Apr 25, 2020 at 2:09 PM Salman Bin Kashif <[email protected]>
> wrote:
>
>> Following is the output of make VERBOSE-1
>>
>> [sbinkas@node0170 build]$ 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
>>>>>> <https://groups.google.com/d/msgid/votca/CAFwyQHyvibXKzOp4e4ig-Lv331HkdZ2X9Titsjvt_ooMiqrQPg%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/CAHG27e7MxFV6fc2WDU0%3D8%2BL%3D%2B4mgaZr4LZ6APYdEqYmtsmmJpA%40mail.gmail.com
>>>>> <https://groups.google.com/d/msgid/votca/CAHG27e7MxFV6fc2WDU0%3D8%2BL%3D%2B4mgaZr4LZ6APYdEqYmtsmmJpA%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/CAFwyQHym1V1DDWnoqELvtNPbFE%3D%2B7KSTE-RCKM2aVArgF5YdRw%40mail.gmail.com
>>>> <https://groups.google.com/d/msgid/votca/CAFwyQHym1V1DDWnoqELvtNPbFE%3D%2B7KSTE-RCKM2aVArgF5YdRw%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/CAHG27e4gh80z%3DUPL8nydGrEm3QV0HqRzYm7cozObdZJZR1QZLA%40mail.gmail.com
>>> <https://groups.google.com/d/msgid/votca/CAHG27e4gh80z%3DUPL8nydGrEm3QV0HqRzYm7cozObdZJZR1QZLA%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/CAFwyQHwt0yXzKSOfqzkxmHsda6x2H5bkUrNqQm-5PyGUNX2Q6w%40mail.gmail.com.
