On Wed, Jan 10, 2018 at 4:06 PM, Christoph Junghans <[email protected]> wrote:
> 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
I tried building VOTCA on a clean Ubuntu 16.04.3 LTS box and
everything compiled fine here, so that original issue must be due to
something funky on your system. When compiling csg make sure cmake
picks up the right gromacs version, look for the following output:
-- Found GROMACS: /tmp/votca2/lib/libgromacs.so
>>
>> 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):
The "--dev" option makes build.sh pull code from the development
branch instead of the stable code branch.
And stable and development don't mix well, which is most likely the
reason for the issue below.
As ctp has no stable release yet, your only options is to build the
development version of all packages.
>>
>> [ 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
>>> >> >
>>> >> > --
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>>> >> > send
>>> >> > an
>>> >> > email to [email protected].
>>> >> > 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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>>>
>>>
>>>
>>> --
>>> Christoph Junghans
>>> Web: http://www.compphys.de
>>
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>
>
>
> --
> Christoph Junghans
> Web: http://www.compphys.de
--
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