subject:"\[votca\] Re\: Installing VOTCA on Centos"

[votca] Re: Installing VOTCA on Centos

2011-09-06 Thread Valentina

Thank you very much, I did get GNU gsl and it worked (till next error
- posted into more relevant discussion).

Valentina

On Sep 5, 8:57 am, Christoph Junghans  wrote:
> Hi Valentina,
>
> the cblas thing is a bit misleading, it is only needed by libgsl, so
> make sure you have GNU gsl installed.
> gsl comes with its own cblas (libgslcblas), but on some distributions
> gsl is linked against a different cblas, which why we are searching
> for it separately.
>
> Can you post the end your CMakeError.log?
> And the output of 'nm -D /opt/CBLAS/lib/libcblas.so' ?
>
> If you are not planning to use force matching you can also disable the
> usage of gsl with -DWITH_GSL=OFF
>
> For details have a look at:
> 
>
> Cheers,
>
> Christoph
>
> 2011/9/2 Valentina :
>
>
>
>
>
>
>
> > Hello again!
>
> > My installation on this machine is not going well:(
>
> > Now I am stuck with CBLAS, that i have installed as both static and
> > shared and I try to compile votca now with this:
>
> >  ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
> > libfftw3.so  -DCBLAS_LIBRARY=/opt/CBLAS/lib/libcblas.so --prefix /opt/
> > votca tools csg
>
> > But get an error:
>
> > -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
> > txt2tags not found, help cmake to find it by setting
> > TXT2TAGS_EXECUTABLE
> > -- checking for module 'fftw3'
> > --   package 'fftw3' not found
> > CMake Error at CMakeModules/FindCBLAS.cmake:37 (message):
> >  Could not find cblas_dsyrk in /opt/CBLAS/lib/libcblas.so, take a
> > look at
> >  the error message in /opt/votca/src/tools/CMakeFiles/CMakeError.log
> > to find
> >  out what was going wrong.  If you are using a static lib (.a) make
> > sure you
> >  have specified all dependencies of libcblas in CBLAS_LIBRARY by hand
> > (i.e.
> >  -DCBLAS_LIBRARY='/path/to/libcblas.so;/path/to/libm.so') !
> > Call Stack (most recent call first):
> >  CMakeModules/FindGSL.cmake:24 (find_package)
> >  src/libtools/CMakeLists.txt:25 (find_package)
>
> > I am lost here, as I am giving the path by hand, but votca still
> > doesn't find libcblas.so
>
> > when I deffinetly have libcblas.so:
> > find / -name '*cblas.so*'
> > /opt/CBLAS/lib/libcblas.so
>
> > Am I missing something here? Many thanks.
>
> > V
>
> > On Aug 19, 5:09 pm, Christoph Junghans  wrote:
> >> I had another look at your previous email>cmake 
> >> -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
>
> >> "-DCMAKE_INSTALL_PREFIX=tools", huh? It seems ${prefix} is empty in> 
> >> ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
> >> > libfftw3.so --prefix ${prefix} tools csg
>
> >>  which is why build.sh uses  tools as a prefix and builds csg
>
> >> You can just specify the prefix directly, to be sure.
>
> >> Christoph
>
> >> 2011/8/19 Valentina :
>
> >> > Yep, I am building with:
> >> > ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
> >> > libfftw3.so --prefix ${prefix} tools csg
>
> >> > But seems there is no libvotca_boost or libvotca_tools.so
> >> > [root@xena src]# find * -name *libvotca_boost.so*
> >> > [root@xena src]# find * -name *libvotca_tools.so*
> >> > [root@xena src]#
>
> >> > Thank you, V
>
> >> > On Aug 19, 4:02 pm, Christoph Junghans  wrote:
> >> >> If you build/install votca tools with -DEXTERNAL_BOOST=OFF then there
> >> >> should be a libvotca_boost.so in the place where libvotca_tools.so is.
>
> >> >> Christoph
>
> >> >> 2011/8/19 Valentina :
>
> >> >> > Thank you very much, it worked! till next stage (seems I am gifted for
> >> >> > finding/creating problems)
>
> >> >> > cmake -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
> >> >> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
> >> >> > DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
> >> >> > -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
> >> >> > txt2tags not found, help cmake to find it by setting
> >> >> > TXT2TAGS_EXECUTABLE
> >> >> > -- checking for module 'libvotca_boost'
> >> >> > --   package 'libvotca_boost' not found
> >> >> > CMake Error at /usr/local/share/cmake-2.8/Modules/
> >> >> > FindPackageHandleStandardArgs.cmake:91 (MESSAGE):
> >> >> >  Could NOT find VOTCA_BOOST (missing: VOTCA_BOOST_LIBRARY
> >> >> >  VOTCA_BOOST_INCLUDE_DIR)
> >> >> > Call Stack (most recent call first):
> >> >> >  /usr/local/share/cmake-2.8/Modules/
> >> >> > FindPackageHandleStandardArgs.cmake:252 (_FPHSA_FAILURE_MESSAGE)
> >> >> >  CMakeModules/FindVOTCA_BOOST.cmake:35
> >> >> > (find_package_handle_standard_args)
> >> >> >  CMakeLists.txt:62 (find_package)
>
> >> >> > -- Configuring incomplete, errors occurred!
>
> >> >> > I am wondering if it is related to my votca_tools being in:
>
> >> >> > [root@xena src]# find / -name *votca_boost*
> >> >> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc
> >> >> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc.in
>
> >> >> > But then I am not too sure if I can set VOTCA_BOOST_LIBRARY and
> >> >> > VOTCA_BOOST_INCL

Re: [votca] Re: Installing VOTCA on Centos

2011-09-05 Thread Christoph Junghans

Hi Valentina,

the cblas thing is a bit misleading, it is only needed by libgsl, so
make sure you have GNU gsl installed.
gsl comes with its own cblas (libgslcblas), but on some distributions
gsl is linked against a different cblas, which why we are searching
for it separately.

Can you post the end your CMakeError.log?
And the output of 'nm -D /opt/CBLAS/lib/libcblas.so' ?

If you are not planning to use force matching you can also disable the
usage of gsl with -DWITH_GSL=OFF

For details have a look at:


Cheers,

Christoph

2011/9/2 Valentina :
> Hello again!
>
> My installation on this machine is not going well:(
>
> Now I am stuck with CBLAS, that i have installed as both static and
> shared and I try to compile votca now with this:
>
>  ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
> libfftw3.so  -DCBLAS_LIBRARY=/opt/CBLAS/lib/libcblas.so --prefix /opt/
> votca tools csg
>
> But get an error:
>
> -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
> txt2tags not found, help cmake to find it by setting
> TXT2TAGS_EXECUTABLE
> -- checking for module 'fftw3'
> --   package 'fftw3' not found
> CMake Error at CMakeModules/FindCBLAS.cmake:37 (message):
>  Could not find cblas_dsyrk in /opt/CBLAS/lib/libcblas.so, take a
> look at
>  the error message in /opt/votca/src/tools/CMakeFiles/CMakeError.log
> to find
>  out what was going wrong.  If you are using a static lib (.a) make
> sure you
>  have specified all dependencies of libcblas in CBLAS_LIBRARY by hand
> (i.e.
>  -DCBLAS_LIBRARY='/path/to/libcblas.so;/path/to/libm.so') !
> Call Stack (most recent call first):
>  CMakeModules/FindGSL.cmake:24 (find_package)
>  src/libtools/CMakeLists.txt:25 (find_package)
>
> I am lost here, as I am giving the path by hand, but votca still
> doesn't find libcblas.so
>
> when I deffinetly have libcblas.so:
> find / -name '*cblas.so*'
> /opt/CBLAS/lib/libcblas.so
>
> Am I missing something here? Many thanks.
>
> V
>
>
>
> On Aug 19, 5:09 pm, Christoph Junghans  wrote:
>> I had another look at your previous email>cmake -DCMAKE_INSTALL_PREFIX=tools 
>>  -DEXTERNAL_BOOST=OFF -
>>
>> "-DCMAKE_INSTALL_PREFIX=tools", huh? It seems ${prefix} is empty in> 
>> ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
>> > libfftw3.so --prefix ${prefix} tools csg
>>
>>  which is why build.sh uses  tools as a prefix and builds csg
>>
>> You can just specify the prefix directly, to be sure.
>>
>> Christoph
>>
>> 2011/8/19 Valentina :
>>
>> > Yep, I am building with:
>> > ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
>> > libfftw3.so --prefix ${prefix} tools csg
>>
>> > But seems there is no libvotca_boost or libvotca_tools.so
>> > [root@xena src]# find * -name *libvotca_boost.so*
>> > [root@xena src]# find * -name *libvotca_tools.so*
>> > [root@xena src]#
>>
>> > Thank you, V
>>
>> > On Aug 19, 4:02 pm, Christoph Junghans  wrote:
>> >> If you build/install votca tools with -DEXTERNAL_BOOST=OFF then there
>> >> should be a libvotca_boost.so in the place where libvotca_tools.so is.
>>
>> >> Christoph
>>
>> >> 2011/8/19 Valentina :
>>
>> >> > Thank you very much, it worked! till next stage (seems I am gifted for
>> >> > finding/creating problems)
>>
>> >> > cmake -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
>> >> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
>> >> > DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
>> >> > -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
>> >> > txt2tags not found, help cmake to find it by setting
>> >> > TXT2TAGS_EXECUTABLE
>> >> > -- checking for module 'libvotca_boost'
>> >> > --   package 'libvotca_boost' not found
>> >> > CMake Error at /usr/local/share/cmake-2.8/Modules/
>> >> > FindPackageHandleStandardArgs.cmake:91 (MESSAGE):
>> >> >  Could NOT find VOTCA_BOOST (missing: VOTCA_BOOST_LIBRARY
>> >> >  VOTCA_BOOST_INCLUDE_DIR)
>> >> > Call Stack (most recent call first):
>> >> >  /usr/local/share/cmake-2.8/Modules/
>> >> > FindPackageHandleStandardArgs.cmake:252 (_FPHSA_FAILURE_MESSAGE)
>> >> >  CMakeModules/FindVOTCA_BOOST.cmake:35
>> >> > (find_package_handle_standard_args)
>> >> >  CMakeLists.txt:62 (find_package)
>>
>> >> > -- Configuring incomplete, errors occurred!
>>
>> >> > I am wondering if it is related to my votca_tools being in:
>>
>> >> > [root@xena src]# find / -name *votca_boost*
>> >> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc
>> >> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc.in
>>
>> >> > But then I am not too sure if I can set VOTCA_BOOST_LIBRARY and
>> >> > VOTCA_BOOST_INCLUDE_DIR to the above paths? What are the libraries
>> >> > then?
>>
>> >> > Many thanks!
>> >> > V
>>
>> >> > On Aug 19, 2:17 pm, Christoph Junghans  wrote:
>> >> >> I just tested Votca with fftw 3.3 and it works here.
>>
>> >> >> It looks strange to me that in your CMakeError.log it says:
>> >> >> "Determining if the function fftw_plan_r2r_1d exists in the /usr/

[votca] Re: Installing VOTCA on Centos

2011-09-02 Thread Valentina

Hello again!

My installation on this machine is not going well:(

Now I am stuck with CBLAS, that i have installed as both static and
shared and I try to compile votca now with this:

 ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
libfftw3.so  -DCBLAS_LIBRARY=/opt/CBLAS/lib/libcblas.so --prefix /opt/
votca tools csg

But get an error:

-- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
txt2tags not found, help cmake to find it by setting
TXT2TAGS_EXECUTABLE
-- checking for module 'fftw3'
--   package 'fftw3' not found
CMake Error at CMakeModules/FindCBLAS.cmake:37 (message):
  Could not find cblas_dsyrk in /opt/CBLAS/lib/libcblas.so, take a
look at
  the error message in /opt/votca/src/tools/CMakeFiles/CMakeError.log
to find
  out what was going wrong.  If you are using a static lib (.a) make
sure you
  have specified all dependencies of libcblas in CBLAS_LIBRARY by hand
(i.e.
  -DCBLAS_LIBRARY='/path/to/libcblas.so;/path/to/libm.so') !
Call Stack (most recent call first):
  CMakeModules/FindGSL.cmake:24 (find_package)
  src/libtools/CMakeLists.txt:25 (find_package)

I am lost here, as I am giving the path by hand, but votca still
doesn't find libcblas.so

when I deffinetly have libcblas.so:
find / -name '*cblas.so*'
/opt/CBLAS/lib/libcblas.so

Am I missing something here? Many thanks.

V



On Aug 19, 5:09 pm, Christoph Junghans  wrote:
> I had another look at your previous email>cmake -DCMAKE_INSTALL_PREFIX=tools  
> -DEXTERNAL_BOOST=OFF -
>
> "-DCMAKE_INSTALL_PREFIX=tools", huh? It seems ${prefix} is empty in> 
> ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
> > libfftw3.so --prefix ${prefix} tools csg
>
>  which is why build.sh uses  tools as a prefix and builds csg
>
> You can just specify the prefix directly, to be sure.
>
> Christoph
>
> 2011/8/19 Valentina :
>
> > Yep, I am building with:
> > ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
> > libfftw3.so --prefix ${prefix} tools csg
>
> > But seems there is no libvotca_boost or libvotca_tools.so
> > [root@xena src]# find * -name *libvotca_boost.so*
> > [root@xena src]# find * -name *libvotca_tools.so*
> > [root@xena src]#
>
> > Thank you, V
>
> > On Aug 19, 4:02 pm, Christoph Junghans  wrote:
> >> If you build/install votca tools with -DEXTERNAL_BOOST=OFF then there
> >> should be a libvotca_boost.so in the place where libvotca_tools.so is.
>
> >> Christoph
>
> >> 2011/8/19 Valentina :
>
> >> > Thank you very much, it worked! till next stage (seems I am gifted for
> >> > finding/creating problems)
>
> >> > cmake -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
> >> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
> >> > DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
> >> > -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
> >> > txt2tags not found, help cmake to find it by setting
> >> > TXT2TAGS_EXECUTABLE
> >> > -- checking for module 'libvotca_boost'
> >> > --   package 'libvotca_boost' not found
> >> > CMake Error at /usr/local/share/cmake-2.8/Modules/
> >> > FindPackageHandleStandardArgs.cmake:91 (MESSAGE):
> >> >  Could NOT find VOTCA_BOOST (missing: VOTCA_BOOST_LIBRARY
> >> >  VOTCA_BOOST_INCLUDE_DIR)
> >> > Call Stack (most recent call first):
> >> >  /usr/local/share/cmake-2.8/Modules/
> >> > FindPackageHandleStandardArgs.cmake:252 (_FPHSA_FAILURE_MESSAGE)
> >> >  CMakeModules/FindVOTCA_BOOST.cmake:35
> >> > (find_package_handle_standard_args)
> >> >  CMakeLists.txt:62 (find_package)
>
> >> > -- Configuring incomplete, errors occurred!
>
> >> > I am wondering if it is related to my votca_tools being in:
>
> >> > [root@xena src]# find / -name *votca_boost*
> >> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc
> >> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc.in
>
> >> > But then I am not too sure if I can set VOTCA_BOOST_LIBRARY and
> >> > VOTCA_BOOST_INCLUDE_DIR to the above paths? What are the libraries
> >> > then?
>
> >> > Many thanks!
> >> > V
>
> >> > On Aug 19, 2:17 pm, Christoph Junghans  wrote:
> >> >> I just tested Votca with fftw 3.3 and it works here.
>
> >> >> It looks strange to me that in your CMakeError.log it says:
> >> >> "Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
> >> >> lib/libfftw3f.so failed with the following output:"
>
> >> >> 'libfftw3f.so' is the single precision version of fftw, which we do
> >> >> not support, Konstantin is working on that:
> >> >> 
>
> >> >> Possible solutions:
> >> >> -build fftw again (make sure you build the double precision version,
> >> >> which is actually the default)
> >> >> $make clean; ./configure --prefix=XXX --enable-shared --disable-float;
> >> >> make; make install
> >> >> -disable fftw support with -DWITH_FFTW=OFF, if you do so csg_boltzmann
> >> >> will lose the ability to calculate autocorrelations.
> >> >> -have a look at CMakeCache.txt to tweak other options related to fftw.
>
> >> >> Cheers,
>
> >

Re: [votca] Re: Installing VOTCA on Centos

2011-08-19 Thread Christoph Junghans

I had another look at your previous email
>cmake -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
"-DCMAKE_INSTALL_PREFIX=tools", huh? It seems ${prefix} is empty in
> ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
> libfftw3.so --prefix ${prefix} tools csg
 which is why build.sh uses  tools as a prefix and builds csg

You can just specify the prefix directly, to be sure.

Christoph


2011/8/19 Valentina :
> Yep, I am building with:
> ./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
> libfftw3.so --prefix ${prefix} tools csg
>
> But seems there is no libvotca_boost or libvotca_tools.so
> [root@xena src]# find * -name *libvotca_boost.so*
> [root@xena src]# find * -name *libvotca_tools.so*
> [root@xena src]#
>
> Thank you, V
>
> On Aug 19, 4:02 pm, Christoph Junghans  wrote:
>> If you build/install votca tools with -DEXTERNAL_BOOST=OFF then there
>> should be a libvotca_boost.so in the place where libvotca_tools.so is.
>>
>> Christoph
>>
>> 2011/8/19 Valentina :
>>
>> > Thank you very much, it worked! till next stage (seems I am gifted for
>> > finding/creating problems)
>>
>> > cmake -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
>> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
>> > DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
>> > -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
>> > txt2tags not found, help cmake to find it by setting
>> > TXT2TAGS_EXECUTABLE
>> > -- checking for module 'libvotca_boost'
>> > --   package 'libvotca_boost' not found
>> > CMake Error at /usr/local/share/cmake-2.8/Modules/
>> > FindPackageHandleStandardArgs.cmake:91 (MESSAGE):
>> >  Could NOT find VOTCA_BOOST (missing: VOTCA_BOOST_LIBRARY
>> >  VOTCA_BOOST_INCLUDE_DIR)
>> > Call Stack (most recent call first):
>> >  /usr/local/share/cmake-2.8/Modules/
>> > FindPackageHandleStandardArgs.cmake:252 (_FPHSA_FAILURE_MESSAGE)
>> >  CMakeModules/FindVOTCA_BOOST.cmake:35
>> > (find_package_handle_standard_args)
>> >  CMakeLists.txt:62 (find_package)
>>
>> > -- Configuring incomplete, errors occurred!
>>
>> > I am wondering if it is related to my votca_tools being in:
>>
>> > [root@xena src]# find / -name *votca_boost*
>> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc
>> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc.in
>>
>> > But then I am not too sure if I can set VOTCA_BOOST_LIBRARY and
>> > VOTCA_BOOST_INCLUDE_DIR to the above paths? What are the libraries
>> > then?
>>
>> > Many thanks!
>> > V
>>
>> > On Aug 19, 2:17 pm, Christoph Junghans  wrote:
>> >> I just tested Votca with fftw 3.3 and it works here.
>>
>> >> It looks strange to me that in your CMakeError.log it says:
>> >> "Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
>> >> lib/libfftw3f.so failed with the following output:"
>>
>> >> 'libfftw3f.so' is the single precision version of fftw, which we do
>> >> not support, Konstantin is working on that:
>> >> 
>>
>> >> Possible solutions:
>> >> -build fftw again (make sure you build the double precision version,
>> >> which is actually the default)
>> >> $make clean; ./configure --prefix=XXX --enable-shared --disable-float;
>> >> make; make install
>> >> -disable fftw support with -DWITH_FFTW=OFF, if you do so csg_boltzmann
>> >> will lose the ability to calculate autocorrelations.
>> >> -have a look at CMakeCache.txt to tweak other options related to fftw.
>>
>> >> Cheers,
>>
>> >> Christoph
>>
>> >> 2011/8/19 Valentina :
>>
>> >> > Thank you:
>>
>> >> > [root@xena src]# more /opt/votca/src/tools/CMakeFiles/CMakeError.log
>> >> > Determining if the function pthread_create exists in the pthreads
>> >> > failed with the following output:
>> >> > Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>>
>> >> > Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
>> >> > /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
>> >> > CMakeFiles/cmTryCompileExec.dir/build
>> >> > gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
>> >> > CMakeTmp'
>> >> > /usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
>> >> > CMakeFiles/CMakeTmp/CMakeFiles 1
>> >> > Building C object CMakeFiles/cmTryCompileExec.dir/
>> >> > CheckFunctionExists.c.o
>> >> > /usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=pthread_create   -o CMakeFiles/
>> >> > cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/local/share/
>> >> > cmake-2.8/Modul
>> >> > es/CheckFunctionExists.c
>> >> > Linking C executable cmTryCompileExec
>> >> > /usr/local/bin/cmake -E cmake_link_script CMakeFiles/
>> >> > cmTryCompileExec.dir/link.txt --verbose=1
>> >> > /usr/bin/gcc     -DCHECK_FUNCTION_EXISTS=pthread_create    CMakeFiles/
>> >> > cmTryCompileExec.dir/CheckFunctionExists.c.o  -o cmTryCompileExec -
>> >> > rdynamic -lpthr
>> >> > eads
>> >> > /usr/bin/ld: cannot find -lpthreads
>> >> > collect2: ld returned 1 exit status
>> >> > gmake[1]: *** [cmTryCompileExec] Error 1
>> >> > gmake[1]: Leavi

[votca] Re: Installing VOTCA on Centos

2011-08-19 Thread Valentina

Yep, I am building with:
./build.sh --dev  -DEXTERNAL_BOOST=OFF -DFFTW3_LIBRARY=/usr/local/lib/
libfftw3.so --prefix ${prefix} tools csg

But seems there is no libvotca_boost or libvotca_tools.so
[root@xena src]# find * -name *libvotca_boost.so*
[root@xena src]# find * -name *libvotca_tools.so*
[root@xena src]#

Thank you, V

On Aug 19, 4:02 pm, Christoph Junghans  wrote:
> If you build/install votca tools with -DEXTERNAL_BOOST=OFF then there
> should be a libvotca_boost.so in the place where libvotca_tools.so is.
>
> Christoph
>
> 2011/8/19 Valentina :
>
> > Thank you very much, it worked! till next stage (seems I am gifted for
> > finding/creating problems)
>
> > cmake -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
> > DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
> > -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
> > txt2tags not found, help cmake to find it by setting
> > TXT2TAGS_EXECUTABLE
> > -- checking for module 'libvotca_boost'
> > --   package 'libvotca_boost' not found
> > CMake Error at /usr/local/share/cmake-2.8/Modules/
> > FindPackageHandleStandardArgs.cmake:91 (MESSAGE):
> >  Could NOT find VOTCA_BOOST (missing: VOTCA_BOOST_LIBRARY
> >  VOTCA_BOOST_INCLUDE_DIR)
> > Call Stack (most recent call first):
> >  /usr/local/share/cmake-2.8/Modules/
> > FindPackageHandleStandardArgs.cmake:252 (_FPHSA_FAILURE_MESSAGE)
> >  CMakeModules/FindVOTCA_BOOST.cmake:35
> > (find_package_handle_standard_args)
> >  CMakeLists.txt:62 (find_package)
>
> > -- Configuring incomplete, errors occurred!
>
> > I am wondering if it is related to my votca_tools being in:
>
> > [root@xena src]# find / -name *votca_boost*
> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc
> > /opt/votca/src/tools/src/libboost/libvotca_boost.pc.in
>
> > But then I am not too sure if I can set VOTCA_BOOST_LIBRARY and
> > VOTCA_BOOST_INCLUDE_DIR to the above paths? What are the libraries
> > then?
>
> > Many thanks!
> > V
>
> > On Aug 19, 2:17 pm, Christoph Junghans  wrote:
> >> I just tested Votca with fftw 3.3 and it works here.
>
> >> It looks strange to me that in your CMakeError.log it says:
> >> "Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
> >> lib/libfftw3f.so failed with the following output:"
>
> >> 'libfftw3f.so' is the single precision version of fftw, which we do
> >> not support, Konstantin is working on that:
> >> 
>
> >> Possible solutions:
> >> -build fftw again (make sure you build the double precision version,
> >> which is actually the default)
> >> $make clean; ./configure --prefix=XXX --enable-shared --disable-float;
> >> make; make install
> >> -disable fftw support with -DWITH_FFTW=OFF, if you do so csg_boltzmann
> >> will lose the ability to calculate autocorrelations.
> >> -have a look at CMakeCache.txt to tweak other options related to fftw.
>
> >> Cheers,
>
> >> Christoph
>
> >> 2011/8/19 Valentina :
>
> >> > Thank you:
>
> >> > [root@xena src]# more /opt/votca/src/tools/CMakeFiles/CMakeError.log
> >> > Determining if the function pthread_create exists in the pthreads
> >> > failed with the following output:
> >> > Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>
> >> > Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
> >> > /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
> >> > CMakeFiles/cmTryCompileExec.dir/build
> >> > gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
> >> > CMakeTmp'
> >> > /usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
> >> > CMakeFiles/CMakeTmp/CMakeFiles 1
> >> > Building C object CMakeFiles/cmTryCompileExec.dir/
> >> > CheckFunctionExists.c.o
> >> > /usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=pthread_create   -o CMakeFiles/
> >> > cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/local/share/
> >> > cmake-2.8/Modul
> >> > es/CheckFunctionExists.c
> >> > Linking C executable cmTryCompileExec
> >> > /usr/local/bin/cmake -E cmake_link_script CMakeFiles/
> >> > cmTryCompileExec.dir/link.txt --verbose=1
> >> > /usr/bin/gcc     -DCHECK_FUNCTION_EXISTS=pthread_create    CMakeFiles/
> >> > cmTryCompileExec.dir/CheckFunctionExists.c.o  -o cmTryCompileExec -
> >> > rdynamic -lpthr
> >> > eads
> >> > /usr/bin/ld: cannot find -lpthreads
> >> > collect2: ld returned 1 exit status
> >> > gmake[1]: *** [cmTryCompileExec] Error 1
> >> > gmake[1]: Leaving directory `/opt/votca/src/tools/CMakeFiles/CMakeTmp'
> >> > gmake: *** [cmTryCompileExec/fast] Error 2
>
> >> > Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
> >> > lib/libfftw3f.so failed with the following output:
> >> > Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>
> >> > Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
> >> > /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
> >> > CMakeFiles/cmTryCompileExec.dir/build
> >> > gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
> >> >

Re: [votca] Re: Installing VOTCA on Centos

2011-08-19 Thread Christoph Junghans

If you build/install votca tools with -DEXTERNAL_BOOST=OFF then there
should be a libvotca_boost.so in the place where libvotca_tools.so is.

Christoph

2011/8/19 Valentina :
> Thank you very much, it worked! till next stage (seems I am gifted for
> finding/creating problems)
>
>
> cmake -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
> DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
> DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
> -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
> txt2tags not found, help cmake to find it by setting
> TXT2TAGS_EXECUTABLE
> -- checking for module 'libvotca_boost'
> --   package 'libvotca_boost' not found
> CMake Error at /usr/local/share/cmake-2.8/Modules/
> FindPackageHandleStandardArgs.cmake:91 (MESSAGE):
>  Could NOT find VOTCA_BOOST (missing: VOTCA_BOOST_LIBRARY
>  VOTCA_BOOST_INCLUDE_DIR)
> Call Stack (most recent call first):
>  /usr/local/share/cmake-2.8/Modules/
> FindPackageHandleStandardArgs.cmake:252 (_FPHSA_FAILURE_MESSAGE)
>  CMakeModules/FindVOTCA_BOOST.cmake:35
> (find_package_handle_standard_args)
>  CMakeLists.txt:62 (find_package)
>
>
> -- Configuring incomplete, errors occurred!
>
>
> I am wondering if it is related to my votca_tools being in:
>
> [root@xena src]# find / -name *votca_boost*
> /opt/votca/src/tools/src/libboost/libvotca_boost.pc
> /opt/votca/src/tools/src/libboost/libvotca_boost.pc.in
>
>
> But then I am not too sure if I can set VOTCA_BOOST_LIBRARY and
> VOTCA_BOOST_INCLUDE_DIR to the above paths? What are the libraries
> then?
>
> Many thanks!
> V
>
>
>
> On Aug 19, 2:17 pm, Christoph Junghans  wrote:
>> I just tested Votca with fftw 3.3 and it works here.
>>
>> It looks strange to me that in your CMakeError.log it says:
>> "Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
>> lib/libfftw3f.so failed with the following output:"
>>
>> 'libfftw3f.so' is the single precision version of fftw, which we do
>> not support, Konstantin is working on that:
>> 
>>
>> Possible solutions:
>> -build fftw again (make sure you build the double precision version,
>> which is actually the default)
>> $make clean; ./configure --prefix=XXX --enable-shared --disable-float;
>> make; make install
>> -disable fftw support with -DWITH_FFTW=OFF, if you do so csg_boltzmann
>> will lose the ability to calculate autocorrelations.
>> -have a look at CMakeCache.txt to tweak other options related to fftw.
>>
>> Cheers,
>>
>> Christoph
>>
>> 2011/8/19 Valentina :
>>
>>
>>
>> > Thank you:
>>
>> > [root@xena src]# more /opt/votca/src/tools/CMakeFiles/CMakeError.log
>> > Determining if the function pthread_create exists in the pthreads
>> > failed with the following output:
>> > Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>>
>> > Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
>> > /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
>> > CMakeFiles/cmTryCompileExec.dir/build
>> > gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
>> > CMakeTmp'
>> > /usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
>> > CMakeFiles/CMakeTmp/CMakeFiles 1
>> > Building C object CMakeFiles/cmTryCompileExec.dir/
>> > CheckFunctionExists.c.o
>> > /usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=pthread_create   -o CMakeFiles/
>> > cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/local/share/
>> > cmake-2.8/Modul
>> > es/CheckFunctionExists.c
>> > Linking C executable cmTryCompileExec
>> > /usr/local/bin/cmake -E cmake_link_script CMakeFiles/
>> > cmTryCompileExec.dir/link.txt --verbose=1
>> > /usr/bin/gcc     -DCHECK_FUNCTION_EXISTS=pthread_create    CMakeFiles/
>> > cmTryCompileExec.dir/CheckFunctionExists.c.o  -o cmTryCompileExec -
>> > rdynamic -lpthr
>> > eads
>> > /usr/bin/ld: cannot find -lpthreads
>> > collect2: ld returned 1 exit status
>> > gmake[1]: *** [cmTryCompileExec] Error 1
>> > gmake[1]: Leaving directory `/opt/votca/src/tools/CMakeFiles/CMakeTmp'
>> > gmake: *** [cmTryCompileExec/fast] Error 2
>>
>> > Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
>> > lib/libfftw3f.so failed with the following output:
>> > Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>>
>> > Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
>> > /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
>> > CMakeFiles/cmTryCompileExec.dir/build
>> > gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
>> > CMakeTmp'
>> > /usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
>> > CMakeFiles/CMakeTmp/CMakeFiles 1
>> > Building C object CMakeFiles/cmTryCompileExec.dir/
>> > CheckFunctionExists.c.o
>> > /usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=fftw_plan_r2r_1d   -o
>> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/
>> > local/share/cmake-2.8/Mod
>> > ules/CheckFunctionExists.c
>> > Linking C executable cmTryCompileExec
>> > /usr/local/bin/cmake -E cmake_link_script CMakeFiles/
>> > cmTryCompileExec.d

[votca] Re: Installing VOTCA on Centos

2011-08-19 Thread Valentina

Thank you very much, it worked! till next stage (seems I am gifted for
finding/creating problems)


cmake -DCMAKE_INSTALL_PREFIX=tools  -DEXTERNAL_BOOST=OFF -
DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
-- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
txt2tags not found, help cmake to find it by setting
TXT2TAGS_EXECUTABLE
-- checking for module 'libvotca_boost'
--   package 'libvotca_boost' not found
CMake Error at /usr/local/share/cmake-2.8/Modules/
FindPackageHandleStandardArgs.cmake:91 (MESSAGE):
  Could NOT find VOTCA_BOOST (missing: VOTCA_BOOST_LIBRARY
  VOTCA_BOOST_INCLUDE_DIR)
Call Stack (most recent call first):
  /usr/local/share/cmake-2.8/Modules/
FindPackageHandleStandardArgs.cmake:252 (_FPHSA_FAILURE_MESSAGE)
  CMakeModules/FindVOTCA_BOOST.cmake:35
(find_package_handle_standard_args)
  CMakeLists.txt:62 (find_package)


-- Configuring incomplete, errors occurred!


I am wondering if it is related to my votca_tools being in:

[root@xena src]# find / -name *votca_boost*
/opt/votca/src/tools/src/libboost/libvotca_boost.pc
/opt/votca/src/tools/src/libboost/libvotca_boost.pc.in


But then I am not too sure if I can set VOTCA_BOOST_LIBRARY and
VOTCA_BOOST_INCLUDE_DIR to the above paths? What are the libraries
then?

Many thanks!
V



On Aug 19, 2:17 pm, Christoph Junghans  wrote:
> I just tested Votca with fftw 3.3 and it works here.
>
> It looks strange to me that in your CMakeError.log it says:
> "Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
> lib/libfftw3f.so failed with the following output:"
>
> 'libfftw3f.so' is the single precision version of fftw, which we do
> not support, Konstantin is working on that:
> 
>
> Possible solutions:
> -build fftw again (make sure you build the double precision version,
> which is actually the default)
> $make clean; ./configure --prefix=XXX --enable-shared --disable-float;
> make; make install
> -disable fftw support with -DWITH_FFTW=OFF, if you do so csg_boltzmann
> will lose the ability to calculate autocorrelations.
> -have a look at CMakeCache.txt to tweak other options related to fftw.
>
> Cheers,
>
> Christoph
>
> 2011/8/19 Valentina :
>
>
>
> > Thank you:
>
> > [root@xena src]# more /opt/votca/src/tools/CMakeFiles/CMakeError.log
> > Determining if the function pthread_create exists in the pthreads
> > failed with the following output:
> > Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>
> > Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
> > /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
> > CMakeFiles/cmTryCompileExec.dir/build
> > gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
> > CMakeTmp'
> > /usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
> > CMakeFiles/CMakeTmp/CMakeFiles 1
> > Building C object CMakeFiles/cmTryCompileExec.dir/
> > CheckFunctionExists.c.o
> > /usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=pthread_create   -o CMakeFiles/
> > cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/local/share/
> > cmake-2.8/Modul
> > es/CheckFunctionExists.c
> > Linking C executable cmTryCompileExec
> > /usr/local/bin/cmake -E cmake_link_script CMakeFiles/
> > cmTryCompileExec.dir/link.txt --verbose=1
> > /usr/bin/gcc     -DCHECK_FUNCTION_EXISTS=pthread_create    CMakeFiles/
> > cmTryCompileExec.dir/CheckFunctionExists.c.o  -o cmTryCompileExec -
> > rdynamic -lpthr
> > eads
> > /usr/bin/ld: cannot find -lpthreads
> > collect2: ld returned 1 exit status
> > gmake[1]: *** [cmTryCompileExec] Error 1
> > gmake[1]: Leaving directory `/opt/votca/src/tools/CMakeFiles/CMakeTmp'
> > gmake: *** [cmTryCompileExec/fast] Error 2
>
> > Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
> > lib/libfftw3f.so failed with the following output:
> > Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>
> > Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
> > /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
> > CMakeFiles/cmTryCompileExec.dir/build
> > gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
> > CMakeTmp'
> > /usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
> > CMakeFiles/CMakeTmp/CMakeFiles 1
> > Building C object CMakeFiles/cmTryCompileExec.dir/
> > CheckFunctionExists.c.o
> > /usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=fftw_plan_r2r_1d   -o
> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/
> > local/share/cmake-2.8/Mod
> > ules/CheckFunctionExists.c
> > Linking C executable cmTryCompileExec
> > /usr/local/bin/cmake -E cmake_link_script CMakeFiles/
> > cmTryCompileExec.dir/link.txt --verbose=1
> > /usr/bin/gcc     -DCHECK_FUNCTION_EXISTS=fftw_plan_r2r_1d
> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o  -o
> > cmTryCompileExec -rdynamic /usr
> > /local/lib/libfftw3f.so -Wl,-rpath,/usr/local/lib
> > CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o: In function
> > `main':

Re: [votca] Re: Installing VOTCA on Centos

2011-08-19 Thread Christoph Junghans

I just tested Votca with fftw 3.3 and it works here.

It looks strange to me that in your CMakeError.log it says:
"Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
lib/libfftw3f.so failed with the following output:"

'libfftw3f.so' is the single precision version of fftw, which we do
not support, Konstantin is working on that:


Possible solutions:
-build fftw again (make sure you build the double precision version,
which is actually the default)
$make clean; ./configure --prefix=XXX --enable-shared --disable-float;
make; make install
-disable fftw support with -DWITH_FFTW=OFF, if you do so csg_boltzmann
will lose the ability to calculate autocorrelations.
-have a look at CMakeCache.txt to tweak other options related to fftw.

Cheers,

Christoph




2011/8/19 Valentina :
> Thank you:
>
> [root@xena src]# more /opt/votca/src/tools/CMakeFiles/CMakeError.log
> Determining if the function pthread_create exists in the pthreads
> failed with the following output:
> Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>
> Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
> /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
> CMakeFiles/cmTryCompileExec.dir/build
> gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
> CMakeTmp'
> /usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
> CMakeFiles/CMakeTmp/CMakeFiles 1
> Building C object CMakeFiles/cmTryCompileExec.dir/
> CheckFunctionExists.c.o
> /usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=pthread_create   -o CMakeFiles/
> cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/local/share/
> cmake-2.8/Modul
> es/CheckFunctionExists.c
> Linking C executable cmTryCompileExec
> /usr/local/bin/cmake -E cmake_link_script CMakeFiles/
> cmTryCompileExec.dir/link.txt --verbose=1
> /usr/bin/gcc     -DCHECK_FUNCTION_EXISTS=pthread_create    CMakeFiles/
> cmTryCompileExec.dir/CheckFunctionExists.c.o  -o cmTryCompileExec -
> rdynamic -lpthr
> eads
> /usr/bin/ld: cannot find -lpthreads
> collect2: ld returned 1 exit status
> gmake[1]: *** [cmTryCompileExec] Error 1
> gmake[1]: Leaving directory `/opt/votca/src/tools/CMakeFiles/CMakeTmp'
> gmake: *** [cmTryCompileExec/fast] Error 2
>
>
> Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
> lib/libfftw3f.so failed with the following output:
> Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp
>
> Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
> /usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
> CMakeFiles/cmTryCompileExec.dir/build
> gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
> CMakeTmp'
> /usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
> CMakeFiles/CMakeTmp/CMakeFiles 1
> Building C object CMakeFiles/cmTryCompileExec.dir/
> CheckFunctionExists.c.o
> /usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=fftw_plan_r2r_1d   -o
> CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/
> local/share/cmake-2.8/Mod
> ules/CheckFunctionExists.c
> Linking C executable cmTryCompileExec
> /usr/local/bin/cmake -E cmake_link_script CMakeFiles/
> cmTryCompileExec.dir/link.txt --verbose=1
> /usr/bin/gcc     -DCHECK_FUNCTION_EXISTS=fftw_plan_r2r_1d
> CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o  -o
> cmTryCompileExec -rdynamic /usr
> /local/lib/libfftw3f.so -Wl,-rpath,/usr/local/lib
> CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o: In function
> `main':
> CheckFunctionExists.c:(.text+0x15): undefined reference to
> `fftw_plan_r2r_1d'
> collect2: ld returned 1 exit status
> gmake[1]: *** [cmTryCompileExec] Error 1
> gmake[1]: Leaving directory `/opt/votca/src/tools/CMakeFiles/CMakeTmp'
> gmake: *** [cmTryCompileExec/fast] Error 2
>
>
>
>
>
> On Aug 19, 1:47 pm, Christoph Junghans  wrote:
>> Hmm, I have not tested fftw 3.3, it must be super new.
>> Can you post the part of your CMakeError.log, which contains the
>> actual error message?
>>
>> Cheers,
>>
>> Christoph
>>
>> 2011/8/19 Valentina :
>>
>>
>>
>> > Ok, the first part works:) but now I am stuck a little further
>>
>> > I have fftw3, shared, version 3.3, just freshly installed
>> > [root@xena fftw-3.3]# find /usr -name '*fftw3*.so' -print
>> > /usr/local/lib/libfftw3.so
>> > /usr/local/lib/libfftw3f.so
>> > /usr/local/lib/libfftw3f_threads.so
>>
>> > I try to compile against it (even giving a path)
>> > [root@xena src]# ./build.sh --dev  -DEXTERNAL_BOOST=OFF -
>> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so --prefix ${prefix} tools
>> > csg
>>
>> > But it seems not to like my fftw and complains:
>>
>> > cmake -DCMAKE_INSTALL_PREFIX=/opt/votca  -DEXTERNAL_BOOST=OFF -
>> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
>> > DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
>> > -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
>> > txt2tags not found, help cmake to find it by setting
>> > TXT2TAGS_EXECUTABLE
>> > -- checking for module 'fftw3'
>> > --   package 'fftw3' not found
>> > --

[votca] Re: Installing VOTCA on Centos

2011-08-19 Thread Valentina

Thank you:

[root@xena src]# more /opt/votca/src/tools/CMakeFiles/CMakeError.log
Determining if the function pthread_create exists in the pthreads
failed with the following output:
Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp

Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
/usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
CMakeFiles/cmTryCompileExec.dir/build
gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
CMakeTmp'
/usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
CMakeFiles/CMakeTmp/CMakeFiles 1
Building C object CMakeFiles/cmTryCompileExec.dir/
CheckFunctionExists.c.o
/usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=pthread_create   -o CMakeFiles/
cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/local/share/
cmake-2.8/Modul
es/CheckFunctionExists.c
Linking C executable cmTryCompileExec
/usr/local/bin/cmake -E cmake_link_script CMakeFiles/
cmTryCompileExec.dir/link.txt --verbose=1
/usr/bin/gcc -DCHECK_FUNCTION_EXISTS=pthread_createCMakeFiles/
cmTryCompileExec.dir/CheckFunctionExists.c.o  -o cmTryCompileExec -
rdynamic -lpthr
eads
/usr/bin/ld: cannot find -lpthreads
collect2: ld returned 1 exit status
gmake[1]: *** [cmTryCompileExec] Error 1
gmake[1]: Leaving directory `/opt/votca/src/tools/CMakeFiles/CMakeTmp'
gmake: *** [cmTryCompileExec/fast] Error 2


Determining if the function fftw_plan_r2r_1d exists in the /usr/local/
lib/libfftw3f.so failed with the following output:
Change Dir: /opt/votca/src/tools/CMakeFiles/CMakeTmp

Run Build Command:/usr/bin/gmake "cmTryCompileExec/fast"
/usr/bin/gmake -f CMakeFiles/cmTryCompileExec.dir/build.make
CMakeFiles/cmTryCompileExec.dir/build
gmake[1]: Entering directory `/opt/votca/src/tools/CMakeFiles/
CMakeTmp'
/usr/local/bin/cmake -E cmake_progress_report /opt/votca/src/tools/
CMakeFiles/CMakeTmp/CMakeFiles 1
Building C object CMakeFiles/cmTryCompileExec.dir/
CheckFunctionExists.c.o
/usr/bin/gcc   -DCHECK_FUNCTION_EXISTS=fftw_plan_r2r_1d   -o
CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o   -c /usr/
local/share/cmake-2.8/Mod
ules/CheckFunctionExists.c
Linking C executable cmTryCompileExec
/usr/local/bin/cmake -E cmake_link_script CMakeFiles/
cmTryCompileExec.dir/link.txt --verbose=1
/usr/bin/gcc -DCHECK_FUNCTION_EXISTS=fftw_plan_r2r_1d
CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o  -o
cmTryCompileExec -rdynamic /usr
/local/lib/libfftw3f.so -Wl,-rpath,/usr/local/lib
CMakeFiles/cmTryCompileExec.dir/CheckFunctionExists.c.o: In function
`main':
CheckFunctionExists.c:(.text+0x15): undefined reference to
`fftw_plan_r2r_1d'
collect2: ld returned 1 exit status
gmake[1]: *** [cmTryCompileExec] Error 1
gmake[1]: Leaving directory `/opt/votca/src/tools/CMakeFiles/CMakeTmp'
gmake: *** [cmTryCompileExec/fast] Error 2





On Aug 19, 1:47 pm, Christoph Junghans  wrote:
> Hmm, I have not tested fftw 3.3, it must be super new.
> Can you post the part of your CMakeError.log, which contains the
> actual error message?
>
> Cheers,
>
> Christoph
>
> 2011/8/19 Valentina :
>
>
>
> > Ok, the first part works:) but now I am stuck a little further
>
> > I have fftw3, shared, version 3.3, just freshly installed
> > [root@xena fftw-3.3]# find /usr -name '*fftw3*.so' -print
> > /usr/local/lib/libfftw3.so
> > /usr/local/lib/libfftw3f.so
> > /usr/local/lib/libfftw3f_threads.so
>
> > I try to compile against it (even giving a path)
> > [root@xena src]# ./build.sh --dev  -DEXTERNAL_BOOST=OFF -
> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so --prefix ${prefix} tools
> > csg
>
> > But it seems not to like my fftw and complains:
>
> > cmake -DCMAKE_INSTALL_PREFIX=/opt/votca  -DEXTERNAL_BOOST=OFF -
> > DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
> > DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
> > -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
> > txt2tags not found, help cmake to find it by setting
> > TXT2TAGS_EXECUTABLE
> > -- checking for module 'fftw3'
> > --   package 'fftw3' not found
> > -- Found FFTW3: /usr/local/lib/libfftw3.so
> > CMake Error at CMakeModules/FindFFTW3.cmake:43 (message):
> >  Could not find fftw_plan_r2r_1d in /usr/local/lib/libfftw3.so, take
> > a look
> >  at the error message in /opt/votca/src/tools/CMakeFiles/
> > CMakeError.log to
> >  find out what was going wrong.  If you don't have pkg-config
> > installed you
> >  will most likely have to set FFTW3_LIBRARY by hand (i.e.
> >  -DFFTW3_LIBRARY='/path/to/libfftw3.so') !
> > Call Stack (most recent call first):
> >  src/libtools/CMakeLists.txt:11 (find_package)
>
> > -- Configuring incomplete, errors occurred!
>
> > Is there some trick?
>
> > Thank you very much for your continuous help.
> > V
>
> > On Aug 18, 9:39 pm, Valentina  wrote:
> >> Great, thanks!
>
> >> I will try it tomorrow:)
>
> >> V
>
> >> On Aug 18, 8:10 pm, Christoph Junghans  wrote:
>
> >> > Hi Valentina,
>
> >> > it seems you are a bug hunter ;-)
> >> > I just found the problem in build.sh, just run ./build.sh --selfupdate
>
> >> > './build.sh --dev XXX' bu

Re: [votca] Re: Installing VOTCA on Centos

2011-08-19 Thread Christoph Junghans

Hmm, I have not tested fftw 3.3, it must be super new.
Can you post the part of your CMakeError.log, which contains the
actual error message?

Cheers,

Christoph

2011/8/19 Valentina :
> Ok, the first part works:) but now I am stuck a little further
>
> I have fftw3, shared, version 3.3, just freshly installed
> [root@xena fftw-3.3]# find /usr -name '*fftw3*.so' -print
> /usr/local/lib/libfftw3.so
> /usr/local/lib/libfftw3f.so
> /usr/local/lib/libfftw3f_threads.so
>
>
>
> I try to compile against it (even giving a path)
> [root@xena src]# ./build.sh --dev  -DEXTERNAL_BOOST=OFF -
> DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so --prefix ${prefix} tools
> csg
>
>
>
> But it seems not to like my fftw and complains:
>
> cmake -DCMAKE_INSTALL_PREFIX=/opt/votca  -DEXTERNAL_BOOST=OFF -
> DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
> DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
> -- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
> txt2tags not found, help cmake to find it by setting
> TXT2TAGS_EXECUTABLE
> -- checking for module 'fftw3'
> --   package 'fftw3' not found
> -- Found FFTW3: /usr/local/lib/libfftw3.so
> CMake Error at CMakeModules/FindFFTW3.cmake:43 (message):
>  Could not find fftw_plan_r2r_1d in /usr/local/lib/libfftw3.so, take
> a look
>  at the error message in /opt/votca/src/tools/CMakeFiles/
> CMakeError.log to
>  find out what was going wrong.  If you don't have pkg-config
> installed you
>  will most likely have to set FFTW3_LIBRARY by hand (i.e.
>  -DFFTW3_LIBRARY='/path/to/libfftw3.so') !
> Call Stack (most recent call first):
>  src/libtools/CMakeLists.txt:11 (find_package)
>
>
> -- Configuring incomplete, errors occurred!
>
>
>
> Is there some trick?
>
> Thank you very much for your continuous help.
> V
>
>
> On Aug 18, 9:39 pm, Valentina  wrote:
>> Great, thanks!
>>
>> I will try it tomorrow:)
>>
>> V
>>
>> On Aug 18, 8:10 pm, Christoph Junghans  wrote:
>>
>> > Hi Valentina,
>>
>> > it seems you are a bug hunter ;-)
>> > I just found the problem in build.sh, just run ./build.sh --selfupdate
>>
>> > './build.sh --dev XXX' builds the development version
>> > while './build.sh XXX' builds the stable version.
>>
>> > Cheers,
>>
>> > Christoph
>>
>> > 2011/8/18 Valentina :
>>
>> > > Hello again,
>>
>> > > I am currently trying to install VOTCA onto Centos 5.4,
>>
>> > > I have mercurial installed & cmake.
>>
>> > > When running I get the following:
>>
>> > > ./build.sh --prefix ${prefix} tools csg
>> > > This is VOTCA build.sh, version 1.7.1
>> > > prefix is '/opt/votca'
>> > > Using 5 jobs for make
>> > > Working on tools
>> > > Doing checkout for tools fromhttps://tools.votca.googlecode.com/hg/
>> > > (CTRL-C to stop) 5 4 3 2 1
>> > > warning: certificate for tools.votca.googlecode.com can't be verified
>> > > (Python too old)
>> > > requesting all changes
>> > > adding changesets
>> > > adding manifests
>> > > adding file changes
>> > > added 477 changesets with 2608 changes to 1678 files
>> > > updating to branch default
>> > > 1460 files updated, 0 files merged, 0 files removed, 0 files
>> > > unresolved
>> > > abort: no repository found in '/opt/votca/src' (.hg not found)!
>> > > No stable branch found, skipping switching!
>> > > We build the stable version of tools, but we are on branch default and
>> > > not 'stable'. Please checkout the stable branch with 'hg update
>> > > stable' or add --dev option (disable this check with the --no-
>> > > branchcheck option)
>>
>> > > I also tried putting --no-branchcheck or --dev but it didn't seem to
>> > > help.
>>
>> > > Thank you very much for your help,
>> > > Valentina
>>
>> > > --
>> > > You received this message because you are subscribed to the Google 
>> > > Groups "votca" group.
>> > > To post to this group, send email to votca@googlegroups.com.
>> > > To unsubscribe from this group, send email to 
>> > > votca+unsubscr...@googlegroups.com.
>> > > For more options, visit this group 
>> > > athttp://groups.google.com/group/votca?hl=en.
>>
>> > --
>> > Dr. Christoph Junghans
>> > Votca Core Developer
>>
>> > Web:http://www.votca.org
>>
>>
>
> --
> You received this message because you are subscribed to the Google Groups 
> "votca" group.
> To post to this group, send email to votca@googlegroups.com.
> To unsubscribe from this group, send email to 
> votca+unsubscr...@googlegroups.com.
> For more options, visit this group at 
> http://groups.google.com/group/votca?hl=en.
>
>



-- 
Dr. Christoph Junghans
Votca Core Developer

Web: http://www.votca.org

-- 
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[votca] Re: Installing VOTCA on Centos

2011-08-19 Thread Valentina

Ok, the first part works:) but now I am stuck a little further

I have fftw3, shared, version 3.3, just freshly installed
[root@xena fftw-3.3]# find /usr -name '*fftw3*.so' -print
/usr/local/lib/libfftw3.so
/usr/local/lib/libfftw3f.so
/usr/local/lib/libfftw3f_threads.so



I try to compile against it (even giving a path)
[root@xena src]# ./build.sh --dev  -DEXTERNAL_BOOST=OFF -
DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so --prefix ${prefix} tools
csg



But it seems not to like my fftw and complains:

cmake -DCMAKE_INSTALL_PREFIX=/opt/votca  -DEXTERNAL_BOOST=OFF -
DFFTW3_LIBRARY=/usr/local/lib/libfftw3.so -
DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON .
-- Could NOT find TXT2TAGS (missing:  TXT2TAGS_EXECUTABLE)
txt2tags not found, help cmake to find it by setting
TXT2TAGS_EXECUTABLE
-- checking for module 'fftw3'
--   package 'fftw3' not found
-- Found FFTW3: /usr/local/lib/libfftw3.so
CMake Error at CMakeModules/FindFFTW3.cmake:43 (message):
  Could not find fftw_plan_r2r_1d in /usr/local/lib/libfftw3.so, take
a look
  at the error message in /opt/votca/src/tools/CMakeFiles/
CMakeError.log to
  find out what was going wrong.  If you don't have pkg-config
installed you
  will most likely have to set FFTW3_LIBRARY by hand (i.e.
  -DFFTW3_LIBRARY='/path/to/libfftw3.so') !
Call Stack (most recent call first):
  src/libtools/CMakeLists.txt:11 (find_package)


-- Configuring incomplete, errors occurred!



Is there some trick?

Thank you very much for your continuous help.
V


On Aug 18, 9:39 pm, Valentina  wrote:
> Great, thanks!
>
> I will try it tomorrow:)
>
> V
>
> On Aug 18, 8:10 pm, Christoph Junghans  wrote:
>
> > Hi Valentina,
>
> > it seems you are a bug hunter ;-)
> > I just found the problem in build.sh, just run ./build.sh --selfupdate
>
> > './build.sh --dev XXX' builds the development version
> > while './build.sh XXX' builds the stable version.
>
> > Cheers,
>
> > Christoph
>
> > 2011/8/18 Valentina :
>
> > > Hello again,
>
> > > I am currently trying to install VOTCA onto Centos 5.4,
>
> > > I have mercurial installed & cmake.
>
> > > When running I get the following:
>
> > > ./build.sh --prefix ${prefix} tools csg
> > > This is VOTCA build.sh, version 1.7.1
> > > prefix is '/opt/votca'
> > > Using 5 jobs for make
> > > Working on tools
> > > Doing checkout for tools fromhttps://tools.votca.googlecode.com/hg/
> > > (CTRL-C to stop) 5 4 3 2 1
> > > warning: certificate for tools.votca.googlecode.com can't be verified
> > > (Python too old)
> > > requesting all changes
> > > adding changesets
> > > adding manifests
> > > adding file changes
> > > added 477 changesets with 2608 changes to 1678 files
> > > updating to branch default
> > > 1460 files updated, 0 files merged, 0 files removed, 0 files
> > > unresolved
> > > abort: no repository found in '/opt/votca/src' (.hg not found)!
> > > No stable branch found, skipping switching!
> > > We build the stable version of tools, but we are on branch default and
> > > not 'stable'. Please checkout the stable branch with 'hg update
> > > stable' or add --dev option (disable this check with the --no-
> > > branchcheck option)
>
> > > I also tried putting --no-branchcheck or --dev but it didn't seem to
> > > help.
>
> > > Thank you very much for your help,
> > > Valentina
>
> > > --
> > > You received this message because you are subscribed to the Google Groups 
> > > "votca" group.
> > > To post to this group, send email to votca@googlegroups.com.
> > > To unsubscribe from this group, send email to 
> > > votca+unsubscr...@googlegroups.com.
> > > For more options, visit this group 
> > > athttp://groups.google.com/group/votca?hl=en.
>
> > --
> > Dr. Christoph Junghans
> > Votca Core Developer
>
> > Web:http://www.votca.org
>
>

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[votca] Re: Installing VOTCA on Centos

2011-08-18 Thread Valentina

Great, thanks!

I will try it tomorrow:)

V

On Aug 18, 8:10 pm, Christoph Junghans  wrote:
> Hi Valentina,
>
> it seems you are a bug hunter ;-)
> I just found the problem in build.sh, just run ./build.sh --selfupdate
>
> './build.sh --dev XXX' builds the development version
> while './build.sh XXX' builds the stable version.
>
> Cheers,
>
> Christoph
>
> 2011/8/18 Valentina :
>
>
>
>
>
>
>
>
>
> > Hello again,
>
> > I am currently trying to install VOTCA onto Centos 5.4,
>
> > I have mercurial installed & cmake.
>
> > When running I get the following:
>
> > ./build.sh --prefix ${prefix} tools csg
> > This is VOTCA build.sh, version 1.7.1
> > prefix is '/opt/votca'
> > Using 5 jobs for make
> > Working on tools
> > Doing checkout for tools fromhttps://tools.votca.googlecode.com/hg/
> > (CTRL-C to stop) 5 4 3 2 1
> > warning: certificate for tools.votca.googlecode.com can't be verified
> > (Python too old)
> > requesting all changes
> > adding changesets
> > adding manifests
> > adding file changes
> > added 477 changesets with 2608 changes to 1678 files
> > updating to branch default
> > 1460 files updated, 0 files merged, 0 files removed, 0 files
> > unresolved
> > abort: no repository found in '/opt/votca/src' (.hg not found)!
> > No stable branch found, skipping switching!
> > We build the stable version of tools, but we are on branch default and
> > not 'stable'. Please checkout the stable branch with 'hg update
> > stable' or add --dev option (disable this check with the --no-
> > branchcheck option)
>
> > I also tried putting --no-branchcheck or --dev but it didn't seem to
> > help.
>
> > Thank you very much for your help,
> > Valentina
>
> > --
> > You received this message because you are subscribed to the Google Groups 
> > "votca" group.
> > To post to this group, send email to votca@googlegroups.com.
> > To unsubscribe from this group, send email to 
> > votca+unsubscr...@googlegroups.com.
> > For more options, visit this group 
> > athttp://groups.google.com/group/votca?hl=en.
>
> --
> Dr. Christoph Junghans
> Votca Core Developer
>
> Web:http://www.votca.org

-- 
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[votca] Re: Installing VOTCA on Centos

Re: [votca] Re: Installing VOTCA on Centos

[votca] Re: Installing VOTCA on Centos

Re: [votca] Re: Installing VOTCA on Centos

[votca] Re: Installing VOTCA on Centos

Re: [votca] Re: Installing VOTCA on Centos

[votca] Re: Installing VOTCA on Centos

Re: [votca] Re: Installing VOTCA on Centos

[votca] Re: Installing VOTCA on Centos

Re: [votca] Re: Installing VOTCA on Centos

[votca] Re: Installing VOTCA on Centos

[votca] Re: Installing VOTCA on Centos

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