Hi Marc,
can you try to add '--clean-out --update' when building, e.g.
./build.sh -DEXTERNAL_BOOST=OFF -DWITH_SQLITE3=OFF
-DTXT2TAGS_EXECUTABLE="" --clean-ignored gromacs tools csg
Cheers,
Christoph
Am 3. November 2011 14:45 schrieb Marc Segovia <marcsego...@gmail.com>:
> Hi Christoph
>
> Exactly is 1.7.6 build.sh version.
>
> #version 1.7.6 -- 14.10.11 do clean by default again
>
> On Wed, Nov 2, 2011 at 11:08 PM, Christoph Junghans <jungh...@votca.org>
> wrote:
>> Hi Marc,
>>
>> Are you using the latest version of build.sh? (currently 1.7.6)
>>
>> Cheers,
>>
>> Christoph
>>
>> Am 1. November 2011 15:16 schrieb Marc Segovia <marcsego...@gmail.com>:
>>> Hi Christoph
>>>
>>> Thank you by your answer, I left this behind for a bit, hoping some
>>> inspiration.
>>> about your questions , please see below, one attched file ,
>>> GROMACS_LIBRARY output as well as gmx_version.
>>> seems to be a problem between gromacs dowloaded version and gromacs
>>> version used by votca.
>>> Best Regards
>>> Marc
>>
>>
>>>
>>>
>>> On Tue, Nov 1, 2011 at 5:45 PM, Christoph Junghans <jungh...@votca.org>
>>> wrote:
>>>> Am 21. Oktober 2011 14:27 schrieb Marc Segovia <marcsego...@gmail.com>:
>>>>> Hi all
>>>>>
>>>>> Executing the following command to install Votca
>>>>> sudo ./build.sh -DEXTERNAL_BOOST=OFF -DWITH_SQLITE3=OFF
>>>>> -DTXT2TAGS_EXECUTABLE="" gromacs tools csg
>>>>>
>>>>> installation is pretty perfect , but a problem with gromacs arise when
>>>>> try to use csg_map.
>>>>> seems that download and installation from gromacs site brings 4.5.5
>>>>> version and votca is compiled to 4.5.3.
>>>>> As this way to install gromacs is easy and soft than usual, someone
>>>>> could give a tip how to compile 4.5.3 through votca ?
>>>>> I source .bash files as usual.
>>>>>
>>>>> Best regards
>>>>> Marc
>>>>
>>>> Can you post the output of:
>>>> $ grep ^GROMACS csg/CMakeCache.txt (attached )
>>>> and check whether GROMACS_LIBRARY is right?
>>>
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake: string(REGEX REPLACE
>>> "^lib(.*)" "\\1" GROMACS_LIBRARY_NAME "${GROMACS_PKG}")
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:find_library(GROMACS_LIBRARY
>>> NAMES ${GROMACS_LIBRARY_NAME} HINTS ${PC_GROMACS_LIBRARY_DIRS} )
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:if (GROMACS_LIBRARY)
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake: if("${GROMACS_LIBRARY}"
>>> MATCHES "lib(gmx|gromacs)[^;]*\\.a")
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake: list(REMOVE_ITEM
>>> PC_GROMACS_LIBRARIES ${GROMACS_LIBRARY_NAME})
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:
>>> find_library(GROMACS_${LIB} NAMES ${LIB} HINTS
>>> ${PC_GROMACS_LIBRARY_DIRS} )
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:
>>> endif("${GROMACS_LIBRARY}" MATCHES "lib(gmx|gromacs)[^;]*\\.a")
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:
>>> check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}"
>>> GromacsVersion "" FOUND_GROMACS_VERSION)
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake: message(FATAL_ERROR
>>> "Could not find GromacsVersion in
>>> ${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}, take look at the error
>>> message in ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeError.log
>>> to find out what was going wrong. If you don't have pkg-config
>>> installed you will most likely have to set GROMACS_LIBRARY and
>>> GROMACS_DEP_LIBRARY by hand which sets the gromacs lib and it's
>>> depencies (i.e. -DGROMACS_LIBRARY='/path/to/libgmx.so'
>>> -DGROMACS_DEP_LIBRARIES='/path/to/libblas.so;/path/to/libm.so') !")
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:
>>> check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}"
>>> init_mtop "" FOUND_GROMACS_INIT_MTOP)
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:
>>> check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}"
>>> output_env_init "" FOUND_GROMACS_OUTPUT_ENV_INIT)
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:
>>> check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}"
>>> init_domdec_vsites "" FOUND_GROMACS_INIT_DOMDEC_VSITES)
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:else(GROMACS_LIBRARY)
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:endif (GROMACS_LIBRARY)
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:set(GROMACS_LIBRARIES
>>> "${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}" )
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:find_package_handle_standard_args(GROMACS
>>> DEFAULT_MSG GROMACS_LIBRARY GROMACS_INCLUDE_DIR)
>>> votca/src/csg/CMakeModules/FindGROMACS.cmake:mark_as_advanced(GROMACS_INCLUDE_DIR
>>> GROMACS_LIBRARY GROMACS_DEFINITIONS GROMACS_PKG GROMACS_VERSION
>>> GROMACS_DEP_LIBRARIES)
>>> votca/src/csg/CMakeCache.txt:GROMACS_LIBRARY:FILEPATH=/usr/lib/libgmx.so
>>> votca/src/csg/CMakeCache.txt://ADVANCED property for variable:
>>> GROMACS_LIBRARY
>>> votca/src/csg/CMakeCache.txt:GROMACS_LIBRARY-ADVANCED:INTERNAL=1
>>> votca/src/csg/CMakeCache.txt:PC_GROMACS_LIBRARY_DIRS:INTERNAL=
>>>
>>>
>>>
>>>
>>>
>>>>
>>>> Can you also post the contain of gmx_libs_version.h
>>>> $ cat src/libcsg/gmx_libs_version.h
>>>
>>> static const std::string gmx_version = "VERSION 4.5.3 (single precision)";
>>>
>>>
>>>
>>>
>>>
>>>>
>>>> Cheers,
>>>>
>>>> Christoph
>>>>
>>>>>
>>>>> csg_map --top topol.tpr --trj confout.gro --cg hexane.xml --out
>>>>> conf_cg.gro
>>>>> WARNING: VOTCA was compiled using a different Gromacs library version
>>>>> compiled: VERSION 4.5.3 (single precision)
>>>>> loaded:VERSION 4.5.5 (single precision)
>>>>> Try to source another GMXRC or be prepared for unexpectred behaviour.
>>>>> Reading file topol.tpr, VERSION 4.5.5 (single precision)
>>>>> I have 20000 beads in 1000 molecules
>>>>> I have 3000 beads in 1000 molecules for the coarsegraining
>>>>> WARNING: VOTCA was compiled using a different Gromacs library version
>>>>> compiled: VERSION 4.5.3 (single precision)
>>>>> loaded:VERSION 4.5.5 (single precision)
>>>>> Try to source another GMXRC or be prepared for unexpectred behaviour.
>>>>>
>>>>> -------------------------------------------------------
>>>>> Program VOTCA, VERSION 4.5.5
>>>>> Source code file: /home/marc/votca/src/gromacs/src/gmxlib/futil.c, line:
>>>>> 491
>>>>>
>>>>> File input/output error:
>>>>> confout.gro
>>>>> For more information and tips for troubleshooting, please check the
>>>>> GROMACS
>>>>> website at http://www.gromacs.org/Documentation/Errors
>>>>>
>>>>> --
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>>>>> 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
>>>>
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>>>>
>>>>
>>>
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>>>
>>
>>
>>
>> --
>> Christoph Junghans
>> Votca Core Developer
>>
>> Web: http://www.votca.org
>>
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>>
>>
>
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>
--
Christoph Junghans
Votca Core Developer
Web: http://www.votca.org
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