On Mon, Jul 2, 2018 at 10:41 PM, AVS Nikhil <[email protected]> wrote:
> Hi Christoph and Jens,
>
> Thanks for your prompt reply.
>
>
>
> On Monday, July 2, 2018 at 5:57:07 PM UTC+5:30, Christoph Junghans wrote:
>>
>> 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.
>
>
> I've now added -DGSL_CBLAS_INCLUDE_DIR flag (I've tried both
> GSL_CBLAS_INCLUDE_DIR AND GSLCBLAS_INCLUDE_DIR) to the build.sh command
> line. But the result is still the same. I think, the problem is due to the
> 'manually set paths' being ignored by cmake, as it says so in the log --
> CMake Warning:
> Manually-specified variables were not used by the project:
>
> EXPAT_INCLUDE_DIR
> EXPAT_LIBRARY
> FFTW3_INCLUDE_DIR
> FFTW3_LIBRARY
> GSLCBLAS_INCLUDE_DIR
> GSLCBLAS_LIBRARY
> GSL_INCLUDE_DIR
> GSL_LIBRARY
> WITH_SQLITE3
> I've also tried setting CMAKE_PREFIX_PATH=/home/nikhil/mysoft/gsl-2.5 and
> PKG_CONFIG_PATH=/home/nikhil/mysoft/gsl-2.5/lib/pkgconfig , but cmake seems
> to ignore all of these. Any suggestions?
Ok, I understand now, it happens when csg gets build. And csg doesn't
use EXPAT and FFTW3 etc variable.
The best option would be to set
-DVOTCA_TOOLS_INCLUDE_DIR="path/to/votca-tools/include;/path/to/gsl/include"
>>
>>
>> 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
>
> When using the new build system, I now included these flags. Also in the
> CMakeCache.txt file I am able to verify that CTP XTP and SQLITE3 are set to
> OFF. But the Could NOT find SQLITE3 error still persists.
Do you have sqlite3 installed? Or you could use " -DWITH_SQLITE3=OFF".
Christoph
>
> I am attaching the relevant log/error files (build.log for buld.sh and CMake
> files for the new build system) for your perusal.
>
> Thanks again for your time,
> Nikhil
>
>>
>> >
>> > 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
>> Web: http://www.compphys.de
>
>
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--
Christoph Junghans
Web: http://www.compphys.de
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