On Wed, Jan 10, 2018 at 2:48 PM, Martijn Zwijnenburg <[email protected]> wrote: > 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; // | Could post this on the ctp mailing list [email protected]?
Christoph > > 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]> 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 >> > 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 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 Groups "votca" group. 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