On 2012-10-28 15:52, Reinis Danne wrote:
> On Sun, Oct 28, 2012 at 02:14:13PM +0100, David van der Spoel wrote:
>> Hi,
>>
>> I'm trying to link my project to the development version of openbabel2
>> which is installed in $HOME/openbabel-dev/install
>> I there added the FindOpenBabel2.cmake that floats around the internet
>> to my software packages cmake directory,
>
> Are you reffering to this one?
> http://openbabel.org/api/2.3/cmake_project.shtml
Yes.
>
>> and then added the stuff below
>> to the software package's CMakeLists.txt:
>>
>> option(GMX_OPENBABEL2 "Add support for OpenBabel2 functionality" OFF)
>> if (GMX_OPENBABEL2)
>> find_package(OpenBabel2 REQUIRED)
>> set(PKG_OPENBABEL2 "")
>> if (OPENBABEL2_FOUND)
>> include_directories(${OPENBABEL2_INCLUDE_DIR})
>> set(PKG_OPENBABEL2 openbabel2)
>> set(HAVE_LIBOPENBABEL2 1)
>> list(APPEND GMX_EXTRA_LIBRARIES ${OPENBABEL2_LIBRARIES})
>> endif(OPENBABEL2_FOUND)
>> endif (GMX_OPENBABEL2)
>>
>> and used the following cmake flag:
>> -DCMAKE_PREFIX_PATH=$HOME/openbabel-dev/install
>>
>> using this setup the openbabel library is not found, that is I don't get
>> the exact path to it. If I instead use the system-wide installed version
>> cmake-ing and linking works fine. Any clues to whether this could be due
>> to the above cmake code, the FindOpenBabel2.cmake or something else?
>
> Are you getting any path with this setup, if so, what is it?
> Does it find the correct library if you set in environment
> OPENBABEL2_LIBRARIES pointing to library dir in your
> installation?
That picks up the right library, but this is now not consistent with the
rest of the OB cmake stuff:
% grep -i babel gromacs/CMakeCache.txt
CMAKE_PREFIX_PATH:UNINITIALIZED=/Users/spoel/GG/openbabel-dev/install:/opt/local
//Add support for OpenBabel2 functionality
GMX_OPENBABEL2:BOOL=ON
OPENBABEL2_EXECUTABLE:FILEPATH=/Users/spoel/GG/openbabel-dev/install/bin/babel
libgromacs_LIB_DEPENDS:STATIC=general;/opt/local/lib/libcln.dylib;general;/usr/lib/libsqlite3.dylib;general;/Users/spoel/GG/openbabel-dev/install/lib/libopenbabel.dylib;general;/System/Library/Frameworks/Accelerate.framework;general;m;general;/opt/local/lib/libfftw3.dylib;general;/opt/local/lib/libxml2.dylib;
OPENBABEL2_CFLAGS:INTERNAL=-I/opt/local/include/openbabel-2.0
OPENBABEL2_CFLAGS_I:INTERNAL=
OPENBABEL2_CFLAGS_OTHER:INTERNAL=
OPENBABEL2_FOUND:INTERNAL=1
OPENBABEL2_INCLUDEDIR:INTERNAL=/opt/local/include
OPENBABEL2_INCLUDE_DIRS:INTERNAL=/opt/local/include/openbabel-2.0
OPENBABEL2_LDFLAGS:INTERNAL=-L/opt/local/lib;-lopenbabel
etc.
and my executables link, but crash immediately.
>
>
> Reinis
>
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--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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