Re: [Open Babel] missing obabel executable when compiling by sources on HPC

2014-01-15 Thread Vedat Durmaz
Am 14.01.2014 19:10, schrieb Dimitri Maziuk: On 01/14/2014 11:21 AM, Vedat Durmaz wrote: ... i really don't understand, why obabel building is deactivated by default in the static case. however, i also don't have that much experience with that cmake/configure stuff. Looks like a braino

Re: [Open Babel] missing obabel executable when compiling by sources on HPC

2014-01-15 Thread Maciek Wójcikowski
I think you should build with SHARED = True and append correct directory to LD_LIBRARY_PATH, which probably should look like: export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:~/openbabel/openbabel-2.3.2-install/lib Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl 2014/1/15

Re: [Open Babel] missing obabel executable when compiling by sources on HPC

2014-01-15 Thread Vedat Durmaz
the static build works fine after having modified CMakeLists.txt as described in my previous mail! in contrast, when setting the -DBUILD_SHARED=ON, i get this error: Linking CXX executable ../bin/babel cd /home/b/becdurma/openbabel/openbabel-2.3.2-build/tools

Re: [Open Babel] missing obabel executable when compiling by sources on HPC

2014-01-14 Thread Vedat Durmaz
many thanks for thinking about it, noel. if i do not use that setting by saying: cmake ../openbabel-2.3.2 -DCMAKE_INSTALL_PREFIX=~/openbabel/openbabel-2.3.2-install -DPYTHON_BINDINGS=ON -DEIGEN3_INCLUDE_DIR=/home/b/becdurma/include i get a linker error concerning the babel executable:

Re: [Open Babel] missing obabel executable when compiling by sources on HPC

2014-01-14 Thread Geoffrey Hutchison
i get a linker error concerning the babel executable: .. /opt/cray/craype/2.01/bin/CC -O2 -g -DNDEBUG -O2 -g ... /usr/bin/ld: attempted static link of dynamic object `../lib/libopenbabel.so.4.0.2' collect2: error: ld returned 1 exit status When you re-ran cmake, did you remove everything

Re: [Open Babel] missing obabel executable when compiling by sources on HPC

2014-01-14 Thread Vedat Durmaz
ok. thanks for your help guys! forget about the technical support. i've succeeded in doing it right before ultimately giving up. (and i'm really proud of myself!) some background: our HPC system consists of cray xc30, sandy bridge (afaik) hardware run by the SUSE Linux Enterprise Server (SLES)

Re: [Open Babel] missing obabel executable when compiling by sources on HPC

2014-01-14 Thread Dimitri Maziuk
On 01/14/2014 11:21 AM, Vedat Durmaz wrote: ... i really don't understand, why obabel building is deactivated by default in the static case. however, i also don't have that much experience with that cmake/configure stuff. Looks like a braino to me, perhaps the endif(BUILD_SHARED) was supposed

Re: [Open Babel] missing obabel executable when compiling by sources on HPC

2014-01-13 Thread Noel O'Boyle
I guess BUILD_SHARED=OFF isn't very well maintained. Is there some particular reason you want to use this option? - Noel On 13 January 2014 13:43, Vedat Durmaz dur...@zib.de wrote: hi folks, for the first time, I was trying to install openbabel-2.3 by myself on a Cray XC30 machine.