Thanks Valentina,

The segfault when doing "make install" is the only weird things, but
that must be inside cmake somehow.
Maybe cmake 2.8.8 is too cutting-edge Votca only requires cmake 2.6
(,but Gromacs 4.6 will require cmake-2.8).

Can you run
$ make install VERBOSE=1
and have a look at which exact command the segfault happens?

Cheers,

Christoph

2012/6/28  <[email protected]>:
> Comment by [email protected]:
>
> ==== Installing VOTCA 1.2.2 (on Rocks 6 Cluster) ====
>
>
> Make sure *gsl* and *cmake* are installed on the system.
>
> *gsl*
> Installing by hand:
> Get a copy of gsl-1.15 from http://ftp.heanet.ie/mirrors/gnu/gsl/ and
> extract:
>  {{{ tar -xzvf gsl-*.tar.gz
>  ./configure --enable-shared --prefix=/share/apps/gsl
>   make
>   make install}}}
> Please note, we install to the folder /share/apps/ on out cluster, but it
> does not necessarily have to be it.
>
>
>
> *cmake*
>
> Next get a copy of cmake-2.8.8:
>   {{{wget http://www.cmake.org/files/v2.8/cmake-2.8.8.tar.gz
>   tar -xvf cmake-2.8.8.tar.gz
>   cd cmake-2.8.8
>   ./configure --prefix=/share/apps/.cmake
>   make
>   make install}}}
>
> Add this directory to your path in .bashrc
> {{{   export PATH=$PATH:/share/apps/.cmake/bin }}}
>
> Also you (might) need to make sure the *expat* package is installed.
>
> You will also of course need *Gromacs* and *fftw3* installed, following the
> instructions in [[install_gromacs|Installing Gromacs]].
>
>
>
> Now we can install *VOTCA*. Get a copy of the newest VOTCA from
> http://www.votca.org/download, then get build.sh and make sure it is
> executable:
>   {{{tar -xzvf votca*.tar.gz
>   wget http://votca.googlecode.com/hg/build.sh
>   chmod +x build.sh}}}
>
> VOTCA (with all flags) should be installed like:
>
> {{{   ./build.sh -DWITH_SQLITE3=NO -DEXTERNAL_BOOST=OFF
> -DGSL_INCLUDE_DIR=/share/apps/gsl/include
> -DGSL_LIBRARY=/share/apps/gsl/lib/libgsl.so
> -DGSLCBLAS_LIBRARY=/share/apps/gsl/lib/libgslcblas.so
> -DFFTW3_INCLUDE_DIR=/share/apps/fftw3_d/include
> -DFFTW3_LIBRARY=/share/apps/fftw3_d/lib/libfftw3.so
> -DGROMACS_INCLUDE_DIR=/share/apps/gromacs/include
> -DGROMACS_LIBRARY=/share/apps/gromacs/lib/libgmx.so
> -DGROMACS_DEP_LIBARIES=/share/apps/gsl/lib/libgslcblas.so;/share/apps/gsl/lib/libgsl.so
> --prefix /share/apps/votca tools csg }}}
>
> *BUT* we got segmentation fault (?) so we have manually edited *tools* and
> *csg* install files:
>
> Move into the tools folder
>  {{{ cd tools }}}
> and edit the cmake script
> {{{   nano cmake_install.cmake }}}
> by changing any reference to the path '/root/votca' to '/share/apps/votca'.
> Then run
> {{{   make
>   make install }}}
>
> The move to the csg folder
> {{{   cd ../csg }}}
> and again edit the make script
> {{{   nano cmake_install.cmake }}}
> by changing any reference to the path '/root/votca' to '/share/apps/votca'.
> Then run
> {{{   make
>   make install }}}
>
> Then add the VOTCA install directory to the path. Add to your .bashrc file
> {{{   export
> LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/share/apps/votca/lib:/usr/lib64/openmpi/lib/
>   export PATH=$PATH:/share/apps/votca/bin:share/apps/votca }}}
>
> Ta-Da!
>
> For more information:
> http://code.google.com/p/votca/wiki/Installing
>
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-- 
Christoph Junghans
Web: http://www.compphys.de

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