[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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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
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
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 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
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
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
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