Hi Christoph, Here is the output of $ pkg-config --libs libgmx: Package libgmx was not found in the pkg-config search path. Perhaps you should add the directory containing `libgmx.pc' to the PKG_CONFIG_PATH environment variable No package 'libgmx' found
On Tue, Oct 11, 2011 at 3:45 PM, Christoph Junghans <jungh...@votca.org>wrote: > Am 11. Oktober 2011 16:24 schrieb Patrick Kiley <pjki...@gmail.com>: > > Hi Christoph, > > > > I tried your suggestion, but it doesn't work. I get this error: > "relocation > > R_X86_64_32 against `.rodata' can not be used when making a shared > object; > > recompile with -fPIC". > Hmm, that could be the fPIC bug of gcc, but this looks more like a > mixture of 64 and 32 bit libraries. > Are all dependence libraries (gsl, fftw, libgmx ...) are compiled in 64bit? > e.g. > $ file ~/votca/lib/libgmx.so.6 > libgmx.so.6: ELF 64-bit LSB shared object, x86-64.... > > > > > I tried a fresh install of the normal gromacs compiled as static, and > tried > Well, I hope you have a good reason to go through the pain of > compiling statically! > Even the gromacs people now compile shared by default. > > In case you still want to do it, here is a thread with hints: > < > https://groups.google.com/group/votca/browse_thread/thread/c4a847aabfa5f643/054959940df46f > > > > > > recompiling votca against it and finally I get this error: > > -- package 'libgmx_d' not found > > -- Could NOT find GMX_D (missing: GMX_D_LIBRARY GMX_D_INCLUDE_DIR) > > CMake Warning at src/libcsg/CMakeLists.txt:41 (message): > > gromacs-4.5 double precision not found failback to single precision > > > > > > -- checking for module 'libgmx' > > -- package 'libgmx' not found > > -- Could NOT find GMX (missing: GMX_LIBRARY GMX_INCLUDE_DIR) > > CMake Error at src/libcsg/CMakeLists.txt:44 (message): > > gromacs-4.5 (single or double) not found, make sure you have installed > the > > gromacs-4.5 and it's dev package. If the gromacs module was not found > > above, make sure you have sourced GMXRC or set PKG_CONFIG_PATH > yourself. > > gromacs support can be disable it with -DWITH_GMX=OFF. If you have > > gromacs-5.0 installed enable to build against it with > -DWITH_GMX_DEVEL=ON > > > > > > -- Configuring incomplete, errors occurred! > > > > According to Valentina's link: > > echo $PKG_CONFIG_PATH produces: > > /usr/local/gromacs/lib/pkgconfig > > > > which I believe is correct. > Can you post the output of > $ pkg-config --libs libgmx > > Cheers, > > Christoph > > > > > Any other ideas? > > > > > Kind regards, > > Patrick > > On Tue, Oct 11, 2011 at 1:23 PM, Patrick Kiley <pjki...@gmail.com> > wrote: > >> > >> Hi Valentina, > >> > >> Thanks for the link, but unfortunately, I get zero errors during > >> compilation, so I think this case is a little different from yours, but > >> someone please correct me if I am wrong. > >> > >> Patrick > >> > >> On Tue, Oct 11, 2011 at 1:12 PM, Valentina > >> <valentina_erast...@yahoo.co.uk> wrote: > >>> > >>> Oh, sorry, I read topol.tpr at the beginning. > >>> > >>> I had a similar problem before. This may be useful? > >>> > >>> > http://groups.google.com/group/votca/browse_thread/thread/d24203fb92647bb9 > >>> > >>> Valentina > >>> > >>> > >>> On Oct 11, 12:52 pm, Patrick Kiley <pjki...@gmail.com> wrote: > >>> > I seem to remember that there used to be a --conf-opts option for > >>> > build.sh > >>> > that enabled me to build static libs. Does this still exist? I just > >>> > tried > >>> > using it, but it doesn't seem to be recognized. > >>> > > >>> > Patrick > >>> > > >>> > > >>> > > >>> > > >>> > > >>> > > >>> > > >>> > On Tue, Oct 11, 2011 at 12:48 PM, Patrick Kiley <pjki...@gmail.com> > >>> > wrote: > >>> > > Dear all, > >>> > > >>> > > Sorry, that was a mistake on my part. I am actually using the .tpr > >>> > > files. > >>> > > The command was: > >>> > > csg_boltzmann --top topol.tpr --cg map5-gly-pro-pro.xml --excl > --trj > >>> > > traj.trr > >>> > > >>> > > sorry for the confusion. > >>> > > >>> > > Patrick > >>> > > >>> > > On Tue, Oct 11, 2011 at 12:40 PM, Sebastian Fritsch < > >>> > > frit...@mpip-mainz.mpg.de> wrote: > >>> > > >>> > >> Hello Patrick, > >>> > > >>> > >> you need to use the topol.tpr which is the binary form of the > >>> > >> topol.top. > >>> > >> To get the .tpr you have to run the gromacs preprocessor (grompp). > >>> > > >>> > >> -Sebastian > >>> > >> > Dear all, > >>> > > >>> > >> > I have recently recompiled GROMACS on my machine, and therefore > >>> > >> > have > >>> > >> > needed to recompile VOTCA. > >>> > > >>> > >> > Here is how I did it: > >>> > >> > 1) source gromacs > >>> > >> > 2) sudo ./build.sh -R -dcu --release 1.2.1 --prefix=/home/votca/ > >>> > >> > tools csg > >>> > > >>> > >> > This finishes with no errors, so I thought everything should be > >>> > >> > OK. > >>> > >> > However, when I run this command: > >>> > >> > csg_boltzmann --top topol.top --cg map.xml --excl --trj traj.trr > >>> > > >>> > >> > I get this error: > >>> > >> > an error occurred: > >>> > >> > input format not supported: topol.top > >>> > > >>> > >> > To me this means I have somehow compiled without GMX support, > but > >>> > >> > how > >>> > >> > could this be and how can I fix it? One other thing, I have > >>> > >> > compiled > >>> > >> > gromacs with static libs, so maybe I need to tell the build > script > >>> > >> > this explicitly? > >>> > > >>> > >> > Thanks for any help you can give, > >>> > > >>> > >> > Patrick Kiley > >>> > > >>> > >> -- > >>> > >> You received this message because you are subscribed to the Google > >>> > >> Groups > >>> > >> "votca" group. > >>> > >> To post to this group, send email to votca@googlegroups.com. > >>> > >> To unsubscribe from this group, send email to > >>> > >> votca+unsubscr...@googlegroups.com. > >>> > >> For more options, visit this group at > >>> > >>http://groups.google.com/group/votca?hl=en. > >>> > >>> -- > >>> You received this message because you are subscribed to the Google > Groups > >>> "votca" group. > >>> To post to this group, send email to votca@googlegroups.com. > >>> To unsubscribe from this group, send email to > >>> votca+unsubscr...@googlegroups.com. > >>> For more options, visit this group at > >>> http://groups.google.com/group/votca?hl=en. > >>> > >> > > > > -- > > You received this message because you are subscribed to the Google Groups > > "votca" group. > > To post to this group, send email to votca@googlegroups.com. > > To unsubscribe from this group, send email to > > votca+unsubscr...@googlegroups.com. > > For more options, visit this group at > > http://groups.google.com/group/votca?hl=en. > > > > > > -- > Christoph Junghans > Votca Core Developer > > Web: http://www.votca.org > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to votca@googlegroups.com. > To unsubscribe from this group, send email to > votca+unsubscr...@googlegroups.com. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > > -- You received this message because you are subscribed to the Google Groups "votca" group. 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