On Fri, Oct 23, 2020 at 10:10 AM sandipan c <[email protected]> wrote:
>
> I have set the prefix to the directory where I intend to install VOTCA.
> prefix=/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA
> This is not in the home directory.
> Could that be a problem?
Well, I am asking because the only way to get that error:
>>> CMake Error at CMakeModules/BuildGromacs.cmake:33 (install):
>>>   install DIRECTORY given no DESTINATION!
Is if CMAKE_INSTALL_PREFIX is empty.

Can you try to add the path directly as part of the cmake call?

Christoph
>
> On Fri, Oct 23, 2020 at 8:21 PM Christoph Junghans <[email protected]> wrote:
>>
>>
>>
>> On Fri, Oct 23, 2020, 08:46 sandipan c <[email protected]> wrote:
>>>
>>> Thank you again, Christoph.
>>>
>>> Now when I run the following command, I don't get the gromacs related error 
>>> message. However, at the end , the message says: Configuring incomplete, 
>>> errors occurred!  Is it because some of the optional packages and 
>>> recommended packages have not been found?
>>>
>>> cmake -Bbuilddir -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DBUILD_OWN_GROMACS=on 
>>> -DCMAKE_INSTALL_PREFIX=${prefix} votca
>>> -- The C compiler identification is GNU 5.4.0
>>> -- Detecting C compiler ABI info
>>> -- Detecting C compiler ABI info - done
>>> -- Check for working C compiler: /usr/bin/cc - skipped
>>> -- Detecting C compile features
>>> -- Detecting C compile features - done
>>> CMake Error at CMakeModules/BuildGromacs.cmake:33 (install):
>>>   install DIRECTORY given no DESTINATION!
>>> Call Stack (most recent call first):
>>>   CMakeLists.txt:95 (include)
>>>
>>>
>>> -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)
>>> -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts 
>>> included with your installation of MKL. This script searches for the 
>>> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment 
>>> variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY 
>>> MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY)
>>> -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts 
>>> included with your installation of MKL. This script searches for the 
>>> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment 
>>> variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY 
>>> MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY)
>>> -- Found Boost: /usr/include (found suitable version "1.58.0", minimum 
>>> required is "1.53.0") found components: program_options filesystem system
>>> -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)
>>> -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts 
>>> included with your installation of MKL. This script searches for the 
>>> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment 
>>> variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY 
>>> MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY)
>>> -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts 
>>> included with your installation of MKL. This script searches for the 
>>> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment 
>>> variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY 
>>> MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY)
>>> -- Found Eigen3: /usr/lib/cmake/eigen3
>>> -- Found Boost: /usr/include (found suitable version "1.58.0", minimum 
>>> required is "1.53.0") found components: program_options filesystem system 
>>> regex
>>> -- Found Eigen3: /usr/lib/cmake/eigen3
>>> -- Found VOTCA_TOOLS:
>>> -- Found GMX: /usr/local/gromacs/bin/gmx
>>> -- Looking for C++ include algorithm
>>> -- Looking for C++ include algorithm - found
>>> -- Looking for C++ include iomanip
>>> -- Looking for C++ include iomanip - found
>>> -- Looking for C++ include numeric
>>> -- Looking for C++ include numeric - found
>>> -- Looking for C++ include cstdlib
>>> -- Looking for C++ include cstdlib - found
>>> -- Found HDF5: 
>>> /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so;/usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so
>>>  (found version "1.8.16") found components: CXX
>>> -- Could NOT find LMP (missing: LMP_EXECUTABLE)
>>> -- Found VOTCA_CSG:
>>> -- Could NOT find OpenMP_C: Found unsuitable version "4.0", but required is 
>>> at least "4.5" (found -fopenmp)
>>> -- Could NOT find OpenMP_CXX: Found unsuitable version "4.0", but required 
>>> is at least "4.5" (found -fopenmp)
>>> -- Could NOT find OpenMP (missing: OpenMP_C_FOUND OpenMP_CXX_FOUND) 
>>> (Required is at least version "4.5")
>>> -- Checking for module 'libxc'
>>> --   Found libxc, version 2.1.2
>>> -- Found HDF5: 
>>> /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so;/usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so
>>>  (found suitable version "1.8.16", minimum required is "1.8") found 
>>> components: CXX
>>> CMake Warning at xtp/CMakeLists.txt:53 (message):
>>>   HDF5 will be used such that it is compatible with version 1.8.
>>>
>>>
>>> -- Found Boost: /usr/include (found suitable version "1.58.0", minimum 
>>> required is "1.57.0") found components: program_options filesystem system 
>>> timer chrono
>>> -- Found Eigen3: /usr/lib/cmake/eigen3
>>> -- Found VOTCA_TOOLS:
>>> -- Found VOTCA_CSG:
>>> -- Could NOT find Kokkos (missing: Kokkos_DIR)
>>> -- Found Python: /usr/bin/python3.5 (found suitable version "3.5.2", 
>>> minimum required is "3") found components: Interpreter
>>> -- Could NOT find JUPYTER_NBCONVERT (missing: JUPYTER_EXECUTABLE) (Required 
>>> is at least version "5.4.1")
>>> statusSPHINX_VERSION:0.0
>>> -- Could NOT find SPHINX: Found unsuitable version "0.0", but required is 
>>> at least "2.1" (found SPHINX_EXECUTABLE-NOTFOUND)
>>> -- Could NOT find Doxygen (missing: DOXYGEN_EXECUTABLE)
>>> -- Could NOT find SPHINX (missing: SPHINX_EXECUTABLE)
>>> -- Could NOT find CLANG_FORMAT: Found unsuitable version "0.0", but 
>>> required is at least "10" (found CLANG_FORMAT_EXECUTABLE-NOTFOUND)
>>> -- The following features have been enabled:
>>>
>>>  * BUILD_CSGAPPS, Build extra app using csg
>>>  * BUILD_XTP, Build xtp module
>>>  * BUILD_OWN_GROMACS, Build an internal version of gromacs
>>>  * BUILD_MANPAGES, Build manpages (disable for cross-compile)
>>>  * INSTALL_RC_FILES, Install votca rc files (VOTCARC.bash etc.)
>>>
>>> -- The following OPTIONAL packages have been found:
>>>
>>>  * Git
>>>    Generated version for development version
>>>  * TXT2TAGS
>>>    Used to build manpages
>>>  * UnixCommands
>>>    Used to build manpages
>>>  * Python (required version >= 3)
>>>    Used to build documentation files
>>>
>>> -- The following RECOMMENDED packages have been found:
>>>
>>>  * FFTW3
>>>    Enables FFT functionality
>>>
>>> -- The following REQUIRED packages have been found:
>>>
>>>  * EXPAT
>>>    Used for XML parsing
>>>  * Threads
>>>    Used for thread parallelization
>>>  * PkgConfig
>>>    Used to detect fftw package
>>>    Used to detect libxc package
>>>  * HDF5 (required version >= 1.8)
>>>    Used to read h5md data files
>>>    Used to read/write HDF5 data files
>>>  * Boost (required version >= 1.57.0)
>>>    Extended C++ libraries
>>>  * Eigen3 (required version >= 3.3.0)
>>>    C++ vector data structures
>>>
>>> -- The following features have been disabled:
>>>
>>>  * BUILD_CSG_MANUAL, Build csg-manual
>>>  * ENABLE_TESTING, Enable unit tests
>>>  * ENABLE_RPATH_INJECT, Inject rpath into executables
>>>  * BUILD_OWN_LIBINT, Build an internal version of libint
>>>  * ENABLE_REGRESSION_TESTING, Enable regression tests
>>>  * USE_CUDA, Use CUDA for GPU acceleration
>>>
>>> -- The following OPTIONAL packages have not been found:
>>>
>>>  * MKL
>>>    Enables accelerated performance with MKL
>>>  * Kokkos (required version >= 3.0)
>>>    Used to Ewald solver
>>>  * JUPYTER_NBCONVERT (required version >= 5.4.1)
>>>  * SPHINX (required version >= 2.1)
>>>  * Doxygen
>>>    Needed to build API documentation
>>>  * CLANG_FORMAT (required version >= 10)
>>>
>>> -- The following RECOMMENDED packages have not been found:
>>>
>>>  * OpenMP (required version >= 4.5)
>>>    Used for thread parallelization in xtp
>>>
>>> -- Configuring incomplete, errors occurred!
>>> See also 
>>> "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeOutput.log".
>>> See also 
>>> "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log".
>>> ------------------------------------------------------------------------------------
>>> Should I ignore these messages or will I have to fix these errors? This 
>>> installation is on a single computer and not a cluster.
>>> I am also attaching the CMakeOutput log, in case it is required.
>>
>> What did you set the "prefix" variable to? Alternatively use 
>> -DCMAKE_INSTALL_PREFIX=$HOME/votca.
>>>
>>>
>>> Thanks,
>>> Sandipan
>>>
>>> On Fri, Oct 23, 2020 at 6:27 PM Christoph Junghans <[email protected]> 
>>> wrote:
>>>>
>>>>
>>>>
>>>> On Fri, Oct 23, 2020 at 06:17 sandipan c <[email protected]> wrote:
>>>>>
>>>>> Hi Christoph,
>>>>>
>>>>> thanks for your response.
>>>>>
>>>>> I tried votca installing its own gromacs, using the following command:
>>>>> cmake -Bbuilddir -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DBUILD_OWN_GMX=on 
>>>>> -DCMAKE_INSTALL_PREFIX=${prefix} votca
>>>>
>>>> I misspoke the option is called -DBUILD_OWN_GROMACS=on
>>>>
>>>> Christoph
>>>>>
>>>>>
>>>>>
>>>>> The error still persists:
>>>>> cmake -Bbuilddir -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DBUILD_OWN_GMX=on 
>>>>> -DCMAKE_INSTALL_PREFIX=${prefix} votca
>>>>> -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)
>>>>> -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts 
>>>>> included with your installation of MKL. This script searches for the 
>>>>> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment 
>>>>> variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY 
>>>>> MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY)
>>>>> -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts 
>>>>> included with your installation of MKL. This script searches for the 
>>>>> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment 
>>>>> variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY 
>>>>> MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY)
>>>>> -- Found Boost: /usr/include (found suitable version "1.58.0", minimum 
>>>>> required is "1.53.0") found components: program_options filesystem system
>>>>> -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)
>>>>> -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts 
>>>>> included with your installation of MKL. This script searches for the 
>>>>> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment 
>>>>> variables (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY 
>>>>> MKL_Interface_LINK_LIBRARY MKL_ThreadLayer_LINK_LIBRARY)
>>>>> -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh scripts 
>>>>> included with your installation of MKL. This script searches for the 
>>>>> libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) environment 
>>>>> variables (missing: MKL_INCLUDE_DIR MKL_Core_STATIC_LINK_LIBRARY 
>>>>> MKL_Interface_STATIC_LINK_LIBRARY MKL_ThreadLayer_STATIC_LINK_LIBRARY)
>>>>> -- Found Eigen3: /usr/lib/cmake/eigen3
>>>>> -- Found Boost: /usr/include (found suitable version "1.58.0", minimum 
>>>>> required is "1.53.0") found components: program_options filesystem system 
>>>>> regex
>>>>> -- Found Eigen3: /usr/lib/cmake/eigen3
>>>>> -- Found VOTCA_TOOLS:
>>>>> CMake Error at csg/CMakeModules/FindGROMACS.cmake:58 (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
>>>>>   
>>>>> /media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log
>>>>>   to find out what was going wrong.  This most likely means that your 
>>>>> gromacs
>>>>>   version is too old, we need at least gromacs 2016!
>>>>> Call Stack (most recent call first):
>>>>>   CMakeLists.txt:112 (_find_package)
>>>>>   csg/CMakeLists.txt:87 (find_package)
>>>>>
>>>>>
>>>>> -- Configuring incomplete, errors occurred!
>>>>> See also 
>>>>> "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeOutput.log".
>>>>> See also 
>>>>> "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log".
>>>>>
>>>>> Could you please suggest what I am doing wrong?
>>>>>
>>>>> Thanks,
>>>>> Sandipan
>>>>>
>>>>> On Fri, Oct 23, 2020 at 5:20 PM Christoph Junghans <[email protected]> 
>>>>> wrote:
>>>>>>
>>>>>>
>>>>>>
>>>>>> On Fri, Oct 23, 2020, 05:15 sandipan c <[email protected]> wrote:
>>>>>>>
>>>>>>> Thanks Christoph for your response.
>>>>>>>
>>>>>>> I have successfully installed a newer version of eigen3 package. Now, I 
>>>>>>> get the following error message regarding gromacs version being too old:
>>>>>>>
>>>>>>> -- Found Eigen3: /usr/lib/cmake/eigen3
>>>>>>> -- Found Boost: /usr/include (found suitable version "1.58.0", minimum 
>>>>>>> required is "1.53.0") found components: program_options filesystem 
>>>>>>> system regex
>>>>>>> -- Found Eigen3: /usr/lib/cmake/eigen3
>>>>>>> -- Found VOTCA_TOOLS:
>>>>>>> CMake Error at csg/CMakeModules/FindGROMACS.cmake:58 (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
>>>>>>>   
>>>>>>> /media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log
>>>>>>>   to find out what was going wrong.  This most likely means that your 
>>>>>>> gromacs
>>>>>>>   version is too old, we need at least gromacs 2016!
>>>>>>> Call Stack (most recent call first):
>>>>>>>   CMakeLists.txt:112 (_find_package)
>>>>>>>   csg/CMakeLists.txt:87 (find_package)
>>>>>>>
>>>>>>>
>>>>>>> -- Configuring incomplete, errors occurred!
>>>>>>> See also 
>>>>>>> "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeOutput.log".
>>>>>>> See also 
>>>>>>> "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log".
>>>>>>>
>>>>>>> ---------------------------------------------
>>>>>>> I have installed all the dependencies and now I have separately 
>>>>>>> installed the latest version of gromacs (5.1.1). However, I still get 
>>>>>>> this error.
>>>>>>>
>>>>>>> Could you please suggest ways to resolve this?
>>>>>>
>>>>>>
>>>>>> Gromacs 5.1.1 is pretty old, please install gromacs-2019 instead. Or use 
>>>>>> -DBUILD_OWN_GMX=on, have votca build it's own gromacs version.
>>>>>>
>>>>>> Christoph
>>>>>>
>>>>>>>
>>>>>>> Thanks,
>>>>>>> Sandipan
>>>>>>>
>>>>>>> On Fri, Oct 16, 2020 at 12:42 AM Christoph Junghans 
>>>>>>> <[email protected]> wrote:
>>>>>>>>
>>>>>>>> On Thu, Oct 15, 2020 at 1:01 PM sandipan c <[email protected]> 
>>>>>>>> wrote:
>>>>>>>> >
>>>>>>>> > Hi,
>>>>>>>> >
>>>>>>>> > I am trying to install VOTCA in my desktop, having Ubuntu 16.04. I 
>>>>>>>> > have installed all the dependencies. The cmake version is 3.18. But, 
>>>>>>>> > when I type the command "cmake -B builddir -DBUILD_CSGAPPS=ON 
>>>>>>>> > -DBUILD_XTP=ON -DCMAKE_INSTALL_PREFIX=${prefix} votca", I get the 
>>>>>>>> > following error:
>>>>>>>> > --------------------------------------------------------------------------------------------------------------------------
>>>>>>>> > -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)
>>>>>>>> > -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh 
>>>>>>>> > scripts included with your installation of MKL. This script searches 
>>>>>>>> > for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) 
>>>>>>>> > environment variables (missing: MKL_INCLUDE_DIR 
>>>>>>>> > MKL_Core_LINK_LIBRARY MKL_Interface_LINK_LIBRARY 
>>>>>>>> > MKL_ThreadLayer_LINK_LIBRARY)
>>>>>>>> > -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh 
>>>>>>>> > scripts included with your installation of MKL. This script searches 
>>>>>>>> > for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) 
>>>>>>>> > environment variables (missing: MKL_INCLUDE_DIR 
>>>>>>>> > MKL_Core_STATIC_LINK_LIBRARY MKL_Interface_STATIC_LINK_LIBRARY 
>>>>>>>> > MKL_ThreadLayer_STATIC_LINK_LIBRARY)
>>>>>>>> > -- MKL: Thread Layer(Intel OpenMP) Interface(4-byte Integer)
>>>>>>>> > -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh 
>>>>>>>> > scripts included with your installation of MKL. This script searches 
>>>>>>>> > for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) 
>>>>>>>> > environment variables (missing: MKL_INCLUDE_DIR 
>>>>>>>> > MKL_Core_LINK_LIBRARY MKL_Interface_LINK_LIBRARY 
>>>>>>>> > MKL_ThreadLayer_LINK_LIBRARY)
>>>>>>>> > -- Could NOT find MKL: Source the compilervars.sh or mklvars.sh 
>>>>>>>> > scripts included with your installation of MKL. This script searches 
>>>>>>>> > for the libraries in MKLROOT, LIBRARY_PATHS(Linux), and LIB(Windows) 
>>>>>>>> > environment variables (missing: MKL_INCLUDE_DIR 
>>>>>>>> > MKL_Core_STATIC_LINK_LIBRARY MKL_Interface_STATIC_LINK_LIBRARY 
>>>>>>>> > MKL_ThreadLayer_STATIC_LINK_LIBRARY)
>>>>>>>> > CMake Error at CMakeLists.txt:112 (_find_package):
>>>>>>>> >   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
>>>>>>>> >
>>>>>>>> > Call Stack (most recent call first):
>>>>>>>> >   tools/CMakeLists.txt:75 (find_package)
>>>>>>>> >
>>>>>>>> >
>>>>>>>> > -- Configuring incomplete, errors occurred!
>>>>>>>> > See also 
>>>>>>>> > "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeOutput.log".
>>>>>>>> > See also 
>>>>>>>> > "/media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir/CMakeFiles/CMakeError.log".
>>>>>>>> > ----------------------------------------------------------------------
>>>>>>>> >
>>>>>>>> > Could anyone please help regarding how to solve this problem.
>>>>>>>> You can ignore all the MKL messages, but you will need to install a
>>>>>>>> newer version of the eigen3 package.
>>>>>>>>
>>>>>>>> Christoph
>>>>>>>> >
>>>>>>>> > Thanks,
>>>>>>>> > Sandipan
>>>>>>>> >
>>>>>>>> > --
>>>>>>>> > 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/f4cfe23c-e9c2-40ed-b756-d158038fbbc0n%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/CAHG27e769JpSOT8tDa6FdNVc6oA54ek14%2BSUYv9GTCa0hVwO-Q%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/CAB-cU%3D6c%2Bwu192YSZ4Qg%2BQMuFy8ckQqUXsfn6Ua%3Db-Acr1UY1A%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/CAHG27e4hJS5creT%3DPdbhNPkcPqB3dkx%3DYDXy3G-FuRNsCZ%3DCGg%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/CAB-cU%3D4YgFMsc_O2DF573oq3eyEPAdq8%2BXKNy%2Bg2fAiajZjnsw%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/CAHG27e4_M%3Dkk5J1NeMAX3-nq0ZqbFeR1077Bg2mehJFf09aK0Q%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 
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>>> To view this discussion on the web visit 
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>>
>> --
>> Join us on Slack: https://join.slack.com/t/votca/signup
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>> "votca" group.
>> To unsubscribe from this group and stop receiving emails from it, send an 
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>> To view this discussion on the web visit 
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>
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-- 
Christoph Junghans
Web: http://www.compphys.de

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