Thanks! Using "-DWITH_GMX=OFF" results in a successful build of csg.
However, when I then try to build ctp I run into another problem (using
./build.sh --prefix ${prefix} --dev moo kmc ctp, I assume I don't have to
rebuild ctp & tools):
[ 54%] Building CXX object
src/libctp/CMakeFiles/votca_ctp.dir/tools/molpol.cc.o
In file included from
/home/martijn/bin/votca/src/ctp/include/votca/ctp/fragment.h:25:0,
from
/home/martijn/bin/votca/src/ctp/include/votca/ctp/segment.h:25,
from
/home/martijn/bin/votca/src/ctp/src/libctp/segment.cc:20:
/home/martijn/bin/votca/src/ctp/include/votca/ctp/apolarsite.h:432:18:
error: could not convert ‘0.0’ from ‘double’ to ‘votca::tools::vec’
vec e12 = 0.0; // |
The machine I'm building on runs Ubuntu 16.04.2 LTS.
Best,
Martijn
On Wednesday, 10 January 2018 17:49:40 UTC, Christoph Junghans wrote:
>
> On Wed, Jan 10, 2018 at 8:19 AM, Martijn Zwijnenburg
> <[email protected] <javascript:>> wrote:
> > I installed Gromacs via:
> >
> > ./build.sh --prefix ${prefix} gromacs
> >
> > I had previously installed the Gromacs and the development packages via
> the
> > standard Ubuntu repository & apt-get but then got an error message that
> my
> > Gromacs version was to old so I removed those packages and installed
> them
> > via buld.sh instead.
> I just did a "./build.sh -c --prefix ${prefix} tools gromacs csg" and
> it worked for me, but I don't run Ubuntu!
> Which version of Ubuntu are running?
>
> >
> >
> > No, I didn't use any special options, just plain "build.sh --prefix
> > ${prefix} tools csg". Eventually I also would like to install ctp but I
> was
> > trying to do this first.
> If you don't anticipate to use gromacs input files in ctp, just add
> "-DWITH_GMX=OFF" to the build.sh options.
>
> Christoph
> >
> > Thanks,
> >
> > Martijn
> >
> > On Wednesday, 10 January 2018 14:08:35 UTC, Christoph Junghans wrote:
> >>
> >> On Wed, Jan 10, 2018 at 5:31 AM, Martijn Zwijnenburg
> >> <[email protected]> wrote:
> >> > Hi,
> >> >
> >> > I'm trying to build votca but I consistently get the error below when
> >> > running; ./build.sh --prefix ${prefix} tools csg, in the csg part of
> the
> >> > build:
> >> >
> >> > [ 45%] Building CXX object
> >> > src/libcsg/CMakeFiles/votca_csg.dir/modules/io/xyzwriter.cc.o
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtopologyreader.cc:
> >> > In member function ‘virtual bool
> >> > votca::csg::GMXTopologyReader::ReadTopology(std::__cxx11::string,
> >> > votca::csg::Topology&)’:
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtopologyreader.cc:52:16:
>
>
> >> > error: aggregate ‘t_inputrec ir’ has incomplete type and cannot be
> >> > defined
> >> > t_inputrec ir;
> >> > ^
> >> > [ 46%] Building CXX object
> >> > src/libcsg/CMakeFiles/votca_csg.dir/modules/io/pdbreader.cc.o
> >> > [ 47%] Building CXX object
> >> > src/libcsg/CMakeFiles/votca_csg.dir/modules/io/groreader.cc.o
> >> > [ 48%] Building CXX object
> >> > src/libcsg/CMakeFiles/votca_csg.dir/modules/io/pdbwriter.cc.o
> >> > src/libcsg/CMakeFiles/votca_csg.dir/build.make:662: recipe for target
> >> >
> 'src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmxtopologyreader.cc.o'
> >> > failed
> >> > make[2]: ***
> >> >
> [src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmxtopologyreader.cc.o]
> >> > Error 1
> >> > make[2]: *** Waiting for unfinished jobs....
> >> > [ 50%] Building CXX object
> >> >
> >> >
> src/libcsg/CMakeFiles/votca_csg.dir/modules/io/dlpolytrajectoryreader.cc.o
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:
>
> >> > In member function ‘virtual bool
> >> > votca::csg::GMXTrajectoryReader::FirstFrame(votca::csg::Topology&)’:
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:43:5:
>
>
> >> > error: ‘output_env_t’ was not declared in this scope
> >> > output_env_t oenv;
> >> > ^
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:45:31:
>
>
> >> > error: ‘oenv’ was not declared in this scope
> >> > output_env_init_default (&oenv);
> >> > ^
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:45:35:
>
>
> >> > error: ‘output_env_init_default’ was not declared in this scope
> >> > output_env_init_default (&oenv);
> >> > ^
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:
>
> >> > In member function ‘virtual bool
> >> > votca::csg::GMXTrajectoryReader::NextFrame(votca::csg::Topology&)’:
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:89:5:
>
>
> >> > error: ‘output_env_t’ was not declared in this scope
> >> > output_env_t oenv;
> >> > ^
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:91:31:
>
>
> >> > error: ‘oenv’ was not declared in this scope
> >> > output_env_init_default (&oenv);
> >> > ^
> >> >
> >> >
> /home/martijn/bin/votca/src/csg/src/libcsg/modules/io/gmxtrajectoryreader.cc:91:35:
>
>
> >> > error: ‘output_env_init_default’ was not declared in this scope
> >> > output_env_init_default (&oenv);
> >> > ^
> >> > src/libcsg/CMakeFiles/votca_csg.dir/build.make:710: recipe for target
> >> >
> >> >
> 'src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmxtrajectoryreader.cc.o'
> >> > failed
> >> > make[2]: ***
> >> >
> >> >
> [src/libcsg/CMakeFiles/votca_csg.dir/modules/io/gmxtrajectoryreader.cc.o]
> >> > Error 1
> >> > CMakeFiles/Makefile2:450: recipe for target
> >> > 'src/libcsg/CMakeFiles/votca_csg.dir/all' failed
> >> > make[1]: *** [src/libcsg/CMakeFiles/votca_csg.dir/all] Error 2
> >> > Makefile:127: recipe for target 'all' failed
> >> > make: *** [all] Error 2
> >> >
> >> > What could be the problem? I'm building on an Ubuntu machine and
> before
> >> > commencing the build it mentions all required packages are there.
> >> What version of Gromacs do you have installed?
> >> Did you use any special options or just plain "./build.sh --prefix
> >> ${prefix} tools csg" ?
> >>
> >> Christoph
> >> >
> >> > Thanks in advance,
> >> >
> >> > Martijn
> >> >
> >> > --
> >> > You received this message because you are subscribed to the Google
> >> > Groups
> >> > "votca" group.
> >> > To unsubscribe from this group and stop receiving emails from it,
> send
> >> > an
> >> > email to [email protected].
> >> > To post to this group, send email to [email protected].
> >> > Visit this group at https://groups.google.com/group/votca.
> >> > For more options, visit https://groups.google.com/d/optout.
> >>
> >>
> >>
> >> --
> >> Christoph Junghans
> >> Web: http://www.compphys.de
> >
> > --
> > You received this message because you are subscribed to the Google
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> > To unsubscribe from this group and stop receiving emails from it, send
> an
> > email to [email protected] <javascript:>.
> > To post to this group, send email to [email protected]
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> > For more options, visit https://groups.google.com/d/optout.
>
>
>
> --
> Christoph Junghans
> Web: http://www.compphys.de
>
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