I solved the above problem by adding an extra pair of curly braces in the
file: orbreorder.h:59:13
Modified code segment is:
std::array<Index, 25> _votcaOrder={{
0, //s
0,-1,1, //p
0,-1,1,-2,2, //d
0,-1,1,-2,2,-3,3, //f
0,-1,1,-2,2,-3,3,-4,4 //g
}};
-----------------------------------------
Is this fine?
Thanks,
Sandipan
On Sat, Oct 24, 2020 at 9:45 AM sandipan c <[email protected]>
wrote:
> Thank you so much, Christoph
>
> I ran the prefix command again followed by running the previous
> command: cmake -Bbuilddir -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON
> -DBUILD_OWN_GROMACS=ON -DCMAKE_INSTALL_PREFIX=${prefix} votca
> Now, configuring is successful:
> ------------------------------------------
> Configuring done
> -- Generating done
> -- Build files have been written to:
> /media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/builddir
> ----------------------------------------------
> However, when I run the next command: cmake --build builddir --parallel 8
> I am getting the following error:
> In file included from
> /media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/votca/xtp/include/votca/xtp/qmpackage.h:34:0,
> from
> /media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/votca/xtp/src/libxtp/aobasis.cc:27:
> /media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/votca/xtp/include/votca/xtp/orbreorder.h:59:13:
> error: array must be initialized with a brace-enclosed initializer
> };
> ^
> /media/sandipan/124a8887-6d75-4321-bb42-1c9f00e06fcc/Sandipan/VOTCA/votca/xtp/include/votca/xtp/orbreorder.h:59:13:
> error: too many initializers for ‘std::array<long int, 25ul>’
> ---------------------------------------------
> and at the end:
> CMakeFiles/Makefile2:2573: recipe for target
> 'xtp/src/libxtp/CMakeFiles/votca_xtp.dir/all' failed
> make[1]: *** [xtp/src/libxtp/CMakeFiles/votca_xtp.dir/all] Error 2
> Makefile:148: recipe for target 'all' failed
> make: *** [all] Error 2
>
> Could you please suggest why I am getting this error message?
>
> Thanks,
> Sandipan
>
> On Fri, Oct 23, 2020 at 10:29 PM Christoph Junghans <[email protected]>
> wrote:
>
>> 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
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>> .
>> >>>>>
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>> .
>> >>>>
>> >>>> --
>> >>>> Christoph Junghans
>> >>>> Web: http://www.compphys.de
>> >>>>
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>> .
>> >>>
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>> .
>> >>
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>> .
>> >
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>> .
>>
>>
>>
>> --
>> Christoph Junghans
>> Web: http://www.compphys.de
>>
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>> .
>>
>
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