Please post your config.log. Btw, suse 11.? and static linking does not work. In this case you will have to recompile gromacs as shared (--enable-shared)
Patrick Kiley <[email protected]> schrieb: >Hi Christoph, > >No luck. I tried to build it again like this: >./build.sh --static --conf-opts "--disable-shared --with- >libgmx=libgmx_d" --release 1.1 tools csg > >with >GMX_LIBS="-L/usr/local/gromacs/lib/ -lgmx_d" >or >GMX_LIBS="-L/usr/local/gromacs/lib/ -lgmx" > >But I get the same error. > >On Feb 25, 3:12 pm, Christoph Junghans <[email protected]> >wrote: >> Am 02/25/2011 02:15 PM, schrieb Patrick Kiley:> Hi Christoph, >> >> > Here is the contents of /usr/local/gromacs/lib and as you can see >its >> > double precision - not sure if that makes a difference: >> > libgmxana_d.a libgmx_d.a libgmxpreprocess_d.a libmd_d.a >> > pkgconfig >> > libgmxana_d.la libgmx_d.la libgmxpreprocess_d.la libmd_d.la >> >> Well, for double precision you will need to specify an extra >--conf-opts >> "--with-libgmx=libgmx_d". >> >> Cheers, >> >> Christoph >> >> >> >> >> >> > ./build.sh failed like this: >> > checking for GMX pkg-config files... no >> > checking for GMXLDLIB... no >> > configure: WARNING: Could not find GMXLDLIB environment variable, >> > assuming you have gromacs files in defaults paths >> > checking for GMX... no >> > configure: setting GMX_LIBS to "-lgmx" >> > checking for GromacsVersion in -lgmx... no >> > configure: error: >> >> > Could not link against GROMACS, please choose libraries to link >> > against with --with-libgmx=XXX >> > or specify it in GMX_LIBS (e.g. export >GMX_LIBS="-L<gromacs-path>/lib - >> > lgmx") >> > or disable GROMACS support with --without-libgmx. >> >> > and here is the part of csg/config.log that failed (somewhat >> > long . . .): >> > configure:16319: result: yes >> > configure:16362: $PKG_CONFIG --exists --print-errors "libgromacs" >> > Package libgromacs was not found in the pkg-config search path. >> > Perhaps you should add the directory containing `libgromacs.pc' >> > to the PKG_CONFIG_PATH environment variable >> > No package 'libgromacs' found >> > configure:16365: $? = 1 >> > configure:16376: checking for GMX pkg-config files >> > configure:16379: $PKG_CONFIG --exists --print-errors "lib$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 >> > configure:16382: $? = 1 >> > configure:16390: result: no >> > configure:16392: checking for GMXLDLIB >> > configure:16395: result: no >> > configure:16397: WARNING: Could not find GMXLDLIB environment >> > variable, assuming you have gromacs files in defaults paths >> > configure:16421: checking for GMX >> > configure:16428: $PKG_CONFIG --exists --print-errors "lib$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 >> > configure:16431: $? = 1 >> > configure:16444: $PKG_CONFIG --exists --print-errors "lib$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 >> > configure:16447: $? = 1 >> > configure:16460: result: no >> > No package 'libgmx' found >> > configure:16485: setting GMX_LIBS to "-lgmx" >> > configure:16517: checking for GromacsVersion in -lgmx >> > configure:16537: /bin/sh ./libtool --mode=link g++ -o conftest -g - >> > O2 conftest.cpp -lgmx>&5 >> > libtool: link: g++ -o conftest -g -O2 conftest.cpp -lgmx >> > >/usr/lib64/gcc/x86_64-suse-linux/4.2.1/../../../../x86_64-suse-linux/ >> > bin/ld: cannot find -lgmx >> > collect2: ld returned 1 exit status >> > configure:16537: $? = 1 >> > configure: failed program was: >> > | /* confdefs.h */ >> > | #define PACKAGE_NAME "votca-csg" >> > | #define PACKAGE_TARNAME "votca-csg" >> > | #define PACKAGE_VERSION "1.1" >> > | #define PACKAGE_STRING "votca-csg 1.1" >> > | #define PACKAGE_BUGREPORT "[email protected]" >> > | #define PACKAGE_URL "" >> > | #define PACKAGE "votca-csg" >> > | #define VERSION "1.1" >> > | #define STDC_HEADERS 1 >> > | #define HAVE_SYS_TYPES_H 1 >> > | #define HAVE_SYS_STAT_H 1 >> > | #define HAVE_STDLIB_H 1 >> > | #define HAVE_STRING_H 1 >> > | #define HAVE_MEMORY_H 1 >> > | #define HAVE_STRINGS_H 1 >> > | #define HAVE_INTTYPES_H 1 >> > | #define HAVE_STDINT_H 1 >> > | #define HAVE_UNISTD_H 1 >> > | #define HAVE_DLFCN_H 1 >> > | #define LT_OBJDIR ".libs/" >> > | #define STDC_HEADERS 1 >> > | #define HAVE_VOTCA_TOOLS_VERSION_H 1 >> > | #define HAVE_VOTCA_TOOLS_APPLICATION_H 1 >> > | #define HAVE_VOTCA_TOOLS_THREAD_H 1 >> > | /* end confdefs.h. */ >> > | >> > | /* Override any GCC internal prototype to avoid an error. >> > | Use char because int might match the return type of a GCC >> > | builtin and then its argument prototype would still apply. */ >> > | #ifdef __cplusplus >> > | extern "C" >> > | #endif >> > | char GromacsVersion (); >> > | int >> > | main () >> > | { >> > | return GromacsVersion (); >> > | ; >> > | return 0; >> > | } >> > configure:16545: result: no >> > configure:16557: error: >> >> > Could not link against GROMACS, please choose libraries to link >> > against with --with-libgmx=XXX >> > or specify it in GMX_LIBS (e.g. export >GMX_LIBS="-L<gromacs-path>/lib - >> > lgmx") >> > or disable GROMACS support with --without-libgmx. >> >> > If you are using a mpi version of gromacs, make sure that CXX is >> > something like mpic++. >> > (e.g. export CXX="mpic++" and export GMX_LIBS="-L<gromacs-path>/lib >- >> > lgmx_mpi") >> >> > In gromacs version 5.0 libgmx has been renamed to libgromacs, so >> > GMX_LIBS should contain '-lgromacs' >> >> > On Feb 25, 12:57 pm, Christoph Junghans >> > <[email protected]> wrote: >> >> On Feb 25, 1:30 pm, Patrick Kiley<[email protected]> wrote:> > Could not link against GROMACS, please choose libraries to link >> >>> against with --with-libgmx=XXX >> >>> or specify it in GMX_LIBS (e.g. export >GMX_LIBS="-L<gromacs-path>/lib - >> >>> lgmx") >> >>> or disable GROMACS support with --without-libgmx. >> >> >>> I set GMX_LIBS like this: >> >>> export GMX_LIBS="-L/usr/local/gromacs/lib/ -lgmx" >> >> >>> but still get this error. Does anyone know how to fix this >problem? >> >> >> Do you have the libgmx.a or libgmx.so in your /usr/local/gromacs/ >> >> lib/ ? >> >> >> Try to find the part in csg/config.log, where the error happens >and >> >> post it here. >> >> >> Cheers, >> >> >> Christoph >> >> -- >> Dr. Christoph Junghans >> Max Planck Institute for Polymer Research >> Theory Group >> POBox 3148 >> D 55021 Mainz, Germany >> >> Phone: +49 6131 379 335 >> Web:http://www.mpip-mainz.mpg.de/~junghans > >-- >You received this message because you are subscribed to the Google >Groups "votca" group. >To post to this group, send email to [email protected]. >To unsubscribe from this group, send email to >[email protected]. >For more options, visit this group at >http://groups.google.com/group/votca?hl=en. -- Diese Nachricht wurde von meinem Android-Mobiltelefon mit K-9 Mail gesendet. -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
