Installing VOTCA with latest Gromacs git

[massimo sandal]

Hi,

I am trying to re-install VOTCA so that it works with the latest Gromacs git (the previous Gromacs version I had didn't recognize the adress options in the spce/tf tutorial) (and also to have the updated VOTCA version).

Unfortunately the compilation dies with the following error:

./build.sh -DGROMACS_INCLUDE_DIR=/home/massimo/gromacs/gromacs-4.6git/gromacs/exec-single/include -DGROMACS_LIBRARY=/home/massimo/gromacs/gromacs-4.6git/gromacs/exec-single/lib/libgromacs_git4.6.so --prefix ~/gromacs/votca/votca tools csg

[...]

[ 47%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmxtrajectoryreader.cc.o
[ 49%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmxtopologyreader.cc.o
[ 50%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmx_version.cc.o
[ 52%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmxtrajectorywriter.cc.o
[ 54%] /home/massimo/gromacs/votca/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc: In member function ‘virtual bool votca::csg::GMXTrajectoryReader::FirstFrame(votca::csg::Topology&)’:
/home/massimo/gromacs/votca/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:46:45: error: invalid application of ‘sizeof’ to incomplete type ‘output_env’
/home/massimo/gromacs/votca/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:47:34: error: cannot convert ‘output_env_t {aka output_env*}’ to ‘output_env**’ for argument ‘1’ to ‘void output_env_init_default(output_env**)’
/home/massimo/gromacs/votca/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc: In member function ‘virtual bool votca::csg::GMXTrajectoryReader::NextFrame(votca::csg::Topology&)’:
/home/massimo/gromacs/votca/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:105:45: error: invalid application of ‘sizeof’ to incomplete type ‘output_env’
/home/massimo/gromacs/votca/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:106:34: error: cannot convert ‘output_env_t {aka output_env*}’ to ‘output_env**’ for argument ‘1’ to ‘void output_env_init_default(output_env**)’
Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/modules/io/grotopologyreader.cc.o
[ 56%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/modules/io/growriter.cc.o
[ 58%] Building CXX object src/libcsg/CMakeFiles/votca_csg.dir/modules/io/pdbtopologyreader.cc.o
make[2]: *** [src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmxtrajectoryreader.cc.o] Errore 1

Any hint on what's going on?

Thanks!
Massimo

[massimo sandal]

The last Git commit of Gromacs I'm working with is:

commit cb1a040c17a66d4fc892256109275ab9a57f95ed
Author: Teemu Murtola <teemu....@gmail.com>
Date:   Thu Sep 13 07:17:17 2012 +0300

[Christoph Junghans]

Hi,

at this point VOTCA works with gromacs up to 4.6, but not gromacs 5.0,
which is what you are using. Gromacs 5.0 is still changing too much at
this point.

To get the 4.6 version of gromacs, you will have to checkout the
release-4-6 branch:
$ git checkout -b release-4-6 --track origin/release-4-6

Cheers,

Christoph

2012/9/29 massimo sandal <device...@gmail.com>:

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Christoph Junghans
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[ms]

On 30/09/12 01:31, Christoph Junghans wrote:
> Hi,
>
> at this point VOTCA works with gromacs up to 4.6, but not gromacs 5.0,
> which is what you are using. Gromacs 5.0 is still changing too much at
> this point.
>
> To get the 4.6 version of gromacs, you will have to checkout the
> release-4-6 branch:
> $ git checkout -b release-4-6 --track origin/release-4-6
>

Oh, I thought I did exactly that, but evidently I didn't -tomorrow I
will check again. Thanks!

m.

--
Massimo Sandal, Ph.D.
http://devicerandom.org