On Mon, Jul 2, 2018 at 6:07 AM, <[email protected]> wrote:
> Heyho Nikhil,
>
> I am not a CSG but XTP developer but my first aid:
> the first error happened because it could not find your blas.h header from
> gsl. maybe add its include dir as
>
>
> -DGSL_CBLAS_INCLUDE_DIR
Like Jens said, make sure there is a gsl/gsl_blas.h in GSL_CBLAS_INCLUDE_DIR.
Otherwise you can also set CMAKE_PREFIX_PATH=/home/nikhil/mysoft/gsl-2.5.
Christoph
>
> I am not sure if that works.
>
> The second problem happens because CTP and XTP require sqlite, so either
> activate sqlite or set
>
>
> -DBUILD_CTP=OFF -DBUILD_XTP=OFF
>
> Cheers Jens
>
>
> Am Montag, 2. Juli 2018 13:51:16 UTC+2 schrieb AVS Nikhil:
>>
>>
>> Dear votca users,
>>
>> I'm trying to install votca tools and csg modules on my ubuntu 14.04
>> machine. I've installed the following dependencies in non-standard paths --
>> 1. boost 1.61.0
>> 2. cmake 3.11.4
>> 3. fftw 3.3.8
>> 4. gromacs 5.1.5
>> 5. gsl 2.5
>> 6. expat 2.2.5
>>
>> I first used build.sh to install votca using the following command --
>>
>> ./build.sh --prefix ${prefix} tools csg
>> -DBOOST_ROOT=/home/nikhil/mysoft/boost-1.61.0
>> -DFFTW3_LIBRARY=/home/nikhil/mysoft/fftw-3.3.8/lib/libfftw3.so
>> -DFFTW3_INCLUDE_DIR=/home/nikhil/mysoft/fftw-3.3.8/include
>> -DGSL_INCLUDE_DIR=/home/nikhil/mysoft/gsl-2.5/include
>> -DGSL_LIBRARY=/home/nikhil/mysoft/gsl-2.5/lib/libgsl.so
>> -DGSLCBLAS_LIBRARY=/home/nikhil/mysoft/gsl-2.5/lib/libgslcblas.so
>> -DEXPAT_LIBRARY=/home/nikhil/mysoft/expat-2.2.5/lib/libexpat.so
>> -DEXPAT_INCLUDE_DIR=/home/nikhil/mysoft/expat-2.2.5/include
>> -DWITH_SQLITE3=OFF -DWITH_GMX=ON
>> -DGROMACS_LIBRARY=/home/nikhil/mysoft/gromacs-5.1.5/lib/libgromacs.so
>> -DGROMACS_INCLUDE_DIR=/home/nikhil/mysoft/gromacs-5.1.5/include
>> -DGROMACS_VERSION=5.1.5 --log build.log
>>
>> votca-tools installs correctly but votca-csg throws the following error
>> while building. Please refer to the attached log file for the complete build
>> log. I've also set PKG_CONFIG_PATH to contain directories to appropriate .pc
>> files.
>> [ 68%] Building CXX object
>> src/tools/CMakeFiles/csg_density.dir/csg_density.cc.o
>> In file included from
>> /home/nikhil/mysoft/votca-old/include/votca/tools/linalg.h:22:0,
>> from
>> /home/nikhil/mysoft/votca-old/src/csg/src/tools/csg_fmatch.cc:31:
>>
>> /home/nikhil/mysoft/votca-old/include/votca/tools/votca_gsl_boost_ublas_matrix_prod.h:25:26:
>> fatal error: gsl/gsl_blas.h: No such file or directory
>> #include <gsl/gsl_blas.h>
>> ^
>> compilation terminated.
>> In file included from
>> /home/nikhil/mysoft/votca-old/include/votca/tools/linalg.h:22:0,
>> from
>> /home/nikhil/mysoft/votca-old/src/csg/src/tools/csg_reupdate.cc:26:
>>
>> /home/nikhil/mysoft/votca-old/include/votca/tools/votca_gsl_boost_ublas_matrix_prod.h:25:26:
>> fatal error: gsl/gsl_blas.h: No such file or directory
>> #include <gsl/gsl_blas.h>
>> ^
>> compilation terminated.
>>
>>
>> After various attempts, I decided to give the new build system a try (in a
>> separate directory of course). so I followed these instructions --
>> prefix=WHERE/TO/INSTALL/VOTCA
>> git clone --recursive https://github.com/votca/votca.git
>> cd votca
>> mkdir build
>> cd build
>> cmake -DBUILD_CSGAPPS=ON -DBUILD_CTP=ON -DBUILD_XTP=ON
>> -DCMAKE_INSTALL_PREFIX=${prefix} ..
>>
>> I used the following command --
>> cmake -DCMAKE_INSTALL_PREFIX=${prefix} -DBUILD_CSGAPPS=ON -DBUILD_CTP=ON
>> -DBUILD_XTP=ON -DBOOST_ROOT=/home/nikhil/mysoft/boost-1.61.0
>> -DFFTW3_LIBRARY=/home/nikhil/mysoft/fftw-3.3.8/lib/libfftw3.so
>> -DFFTW3_INCLUDE_DIR=/home/nikhil/mysoft/fftw-3.3.8/include
>> -DGSL_INCLUDE_DIR=/home/nikhil/mysoft/gsl-2.5/include
>> -DGSL_LIBRARY=/home/nikhil/mysoft/gsl-2.5/lib/libgsl.so
>> -DGSL_CBLAS_LIBRARY=/home/nikhil/mysoft/gsl-2.5/lib/libgslcblas.so
>> -DEXPAT_LIBRARY=/home/nikhil/mysoft/expat-2.2.5/lib/libexpat.so
>> -DEXPAT_INCLUDE_DIR=/home/nikhil/mysoft/expat-2.2.5/include -DWITH_GMX=ON
>> -DGROMACS_LIBRARY=/home/nikhil/mysoft/gromacs-5.1.5/lib/libgromacs.so
>> -DGROMACS_INCLUDE_DIR=/home/nikhil/mysoft/gromacs-5.1.5/include
>> -DGROMACS_VERSION=5.1.5 -DWITH_SQLITE3=OFF ..
>>
>> Eventhough I use the flag -DWITH_SQLITE3=OFF, the following error is shown
>> (PFA CMake log files) --
>> CMake Error at
>> /home/nikhil/mysoft/cmake-3.11.4/share/cmake-3.11/Modules/FindPackageHandleStandardArgs.cmake:137
>> (message):
>> Could NOT find SQLITE3 (missing: SQLITE3_LIBRARY SQLITE3_INCLUDE_DIR)
>>
>> Any suggestions/comments will help me immensely.
>>
>> Thank you for your time,
>> Nikhil
>>
>>
>>
>>
>>
>>
>>
>>
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Christoph Junghans
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