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>
>> .
>>
>

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