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.
