On Tue, Jul 3, 2018 at 1:30 PM, Christoph Junghans <[email protected]> wrote:
> 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"
We just switched from gsl to the eigen library in the current master
branch, so this issue should obsolete.
Christoph
>
>>>
>>>
>>> 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
>>> >>
>>> >>
>>> >>
>>> >>
>>> >>
>>> >>
>>> >>
>>> >>
>>> > --
>>> > 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 post to this group, send email to [email protected].
>>> > Visit this group at https://groups.google.com/group/votca.
>>> > For more options, visit https://groups.google.com/d/optout.
>>>
>>>
>>>
>>> --
>>> Christoph Junghans
>>> Web: http://www.compphys.de
>>
>>
>> --
>> 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 post to this group, send email to [email protected].
>> Visit this group at https://groups.google.com/group/votca.
>> For more options, visit https://groups.google.com/d/optout.
>
>
>
> --
> Christoph Junghans
> Web: http://www.compphys.de
--
Christoph Junghans
Web: http://www.compphys.de
--
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 post to this group, send email to [email protected].
Visit this group at https://groups.google.com/group/votca.
For more options, visit https://groups.google.com/d/optout.
