These are the formats recognized by statically linked OB: $ bin/babel -L formats can -- Canonical SMILES format copy -- Copy raw text [Write-only] ent -- Protein Data Bank format fix -- SMILES FIX format [Write-only] mdl -- MDL MOL format ml2 -- Sybyl Mol2 format mol -- MDL MOL format mol2 -- Sybyl Mol2 format molreport -- Open Babel molecule report [Write-only] pdb -- Protein Data Bank format pov -- POV-Ray input format [Write-only] report -- Open Babel report format [Write-only] sd -- MDL MOL format sdf -- MDL MOL format smi -- SMILES format smiles -- SMILES format sy2 -- Sybyl Mol2 format txt -- Title format
The formats recognized by "regular" (dynamical) OB are numbered 147 so I won't quote them all here, but clearly a lot are missing. Most important for me is InChI. Igor On Mon, 2010-10-18 at 16:09 -0400, Tim Vandermeersch wrote: > On Mon, Oct 18, 2010 at 9:49 PM, Igor Filippov [Contr] > <filipp...@mail.nih.gov> wrote: > > Tim, > > > > Something still not working for me - > > > > Here is what I do: > > > > g++ -fopenmp -g -O3 -g -O2 -I/usr/local/ -D_LIB -D_MT -Wall > > -I/usr/local//src/ -I/usr/local//src/ -I/usr/local//include/ > > -I../openbabel-2.3.0rc1//include/ > > -I../openbabel-2.3.0rc1//build/include/ -I/usr/local/include/ > > -I/usr/include/GraphicsMagick -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 > > -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m64 > > -mtune=generic -pthread -u _ZTVN9OpenBabel9SMIFormatE > > -u_ZTVN9OpenBabel12CANSMIFormatE -u _ZTVN9OpenBabel9CanSmilesE -c > > osra.cpp > > > > ..... > > > > g++ -fopenmp -g -O3 -u _ZTVN9OpenBabel9SMIFormatE > > -u_ZTVN9OpenBabel12CANSMIFormatE -u _ZTVN9OpenBabel9CanSmilesE -o osra > > osra.o osra_anisotropic.o osra_ocr.o osra_openbabel.o mcdlutil.o > > unpaper.o -L/usr/local//src/ -lpotrace -L/usr/local/ -locrad -lm > > -lGraphicsMagick++ -lGraphicsMagick -llcms -lfreetype -lXext -lSM -lICE > > -lX11 -lbz2 -lz -lm -lgomp -lpthread -L/usr/lib64 -L/usr/lib -L/usr/lib > > -L/usr/local//src/ -lPgm2asc > > -lnetpbm ../openbabel-2.3.0rc1//build/src/libopenbabel.a > > > > The resulting executable does not produce SMILES. > > You can verify that the symbols are in the executable using: > > objdump -t myexe | grep CanSmi > > > Moreover, when I try to do "make test" on statically linked babel I get > > the following: > > > > 27% tests passed, 41 tests failed out of 56 > > > > Far cry from 100% "PASS" on dynamically linked babel. > > No, the tests don't work for static builds yet. Only the babel > executable with all plugins. > > > Igor > > > > On Mon, 2010-10-18 at 14:59 -0400, Tim Vandermeersch wrote: > >> Hi, > >> > >> On Mon, Oct 18, 2010 at 8:28 PM, Igor Filippov [Contr] > >> <filipp...@mail.nih.gov> wrote: > >> > Tim, > >> > > >> > Thanks, I can build my executable per your instructions and it runs > >> > without segfaults, but doesn't seem to get the format plugins yet - the > >> > output when I want to get SMILES for example is empty. > >> > > >> > I'm also looking at the page "Plugins -> Creating custom static > >> > libraries" at http://openbabel.org/wiki/CMake > >> > but it's so terse I cannot figure out how to use this information for a > >> > project that does not use cmake itself. And I'm not a cmake expert at > >> > all unfortunately... > >> > >> You can build the doc/examples/static_executable exe using cmake and > >> "make VERBOSE=1". This will print the commands used for compiling. > >> > >> For example: > >> > >> [100%] Building CXX object CMakeFiles/myexe.dir/myexe.cpp.o > >> /usr/bin/c++ -u _ZTVN9OpenBabel9ACRFormatE -u > >> _ZTVN9OpenBabel15ADFOutputFormatE -u _ZTVN9OpenBabel14ADFInputFormatE > >> -u _ZTVN9OpenBabel11OBT41FormatE -u _ZTVN9OpenBabel13AlchemyFormatE -u > >> _ZTVN9OpenBabel15AmberPrepFormatE -u _ZTVN9OpenBabel14OBAPIInterfaceE > >> -u _ZTVN9OpenBabel15BallStickFormatE -u _ZTVN9OpenBabel9BGFFormatE -u > >> _ZTVN9OpenBabel9BoxFormatE -u _ZTVN9OpenBabel11CacaoFormatE -u > >> _ZTVN9OpenBabel11CacheFormatE -u _ZTVN9OpenBabel9CARFormatE -u > >> _ZTVN9OpenBabel9CCCFormatE -u _ZTVN9OpenBabel13CHEM3D1FormatE -u > >> _ZTVN9OpenBabel13CHEM3D2FormatE -u > >> _ZTVN9OpenBabel20ChemDrawBinaryFormatE -u > >> _ZTVN9OpenBabel14ChemDrawFormatE -u _ZTVN9OpenBabel13ChemKinFormatE -u > >> _ZTVN9OpenBabel9CHTFormatE -u _ZTVN9OpenBabel9CIFFormatE -u > >> _ZTVN9OpenBabel10CopyFormatE -u _ZTVN9OpenBabel11CRK2DFormatE -u > >> _ZTVN9OpenBabel11CRK3DFormatE -u _ZTVN9OpenBabel9CSRFormatE -u > >> _ZTVN9OpenBabel10CSSRFormatE -u _ZTVN9OpenBabel18DlpolyConfigFormatE > >> -u _ZTVN9OpenBabel19DlpolyHISTORYFormatE -u > >> _ZTVN9OpenBabel10DMolFormatE -u _ZTVN9OpenBabel9XXXFormatE -u > >> _ZTVN9OpenBabel11FASTAFormatE -u _ZTVN9OpenBabel16FastSearchFormatE -u > >> _ZTVN9OpenBabel10FCHKFormatE -u _ZTVN9OpenBabel10FEATFormatE -u > >> _ZTVN9OpenBabel16FenskeZmatFormatE -u _ZTVN9OpenBabel13FHIainsFormatE > >> -u _ZTVN9OpenBabel17FingerprintFormatE -u > >> _ZTVN9OpenBabel24FreeFormFractionalFormatE -u > >> _ZTVN9OpenBabel18GAMESSOutputFormatE -u > >> _ZTVN9OpenBabel17GAMESSInputFormatE -u > >> _ZTVN9OpenBabel14GAMESSUKFormatE -u > >> _ZTVN9OpenBabel19GAMESSUKInputFormatE -u > >> _ZTVN9OpenBabel20GAMESSUKOutputFormatE -u > >> _ZTVN9OpenBabel20OBGaussianCubeFormatE -u > >> _ZTVN9OpenBabel20GaussianOutputFormatE -u > >> _ZTVN9OpenBabel19GaussianInputFormatE -u > >> _ZTVN9OpenBabel26GaussianZMatrixInputFormatE -u > >> _ZTVN9OpenBabel13GenBankFormatE -u _ZTVN9OpenBabel14GhemicalFormatE -u > >> _ZTVN9OpenBabel14GROMOS96FormatE -u _ZTVN9OpenBabel10GULPFormatE -u > >> _ZTVN9OpenBabel9HINFormatE -u _ZTVN9OpenBabel18JaguarOutputFormatE -u > >> _ZTVN9OpenBabel17JaguarInputFormatE -u _ZTVN9OpenBabel10MCDLFormatE -u > >> _ZTVN9OpenBabel9MDLFormatE -u _ZTVN9OpenBabel9MOLFormatE -u > >> _ZTVN9OpenBabel9SDFFormatE -u _ZTVN9OpenBabel11mmCIFFormatE -u > >> _ZTVN9OpenBabel14MacroModFormatE -u _ZTVN9OpenBabel9MNAFormatE -u > >> _ZTVN9OpenBabel10MOL2FormatE -u _ZTVN9OpenBabel14OBMoldenFormatE -u > >> _ZTVN9OpenBabel18MolproOutputFormatE -u > >> _ZTVN9OpenBabel17MolproInputFormatE -u > >> _ZTVN9OpenBabel15MolReportFormatE -u _ZTVN9OpenBabel11MOPACFormatE -u > >> _ZTVN9OpenBabel15MOPACCARTFormatE -u _ZTVN9OpenBabel14MOPACINTFormatE > >> -u _ZTVN9OpenBabel9MPDFormatE -u _ZTVN9OpenBabel10MPQCFormatE -u > >> _ZTVN9OpenBabel15MPQCInputFormatE -u _ZTVN9OpenBabel9MSIFormatE -u > >> _ZTVN9OpenBabel12OBMSMSFormatE -u _ZTVN9OpenBabel9NulFormatE -u > >> _ZTVN9OpenBabel18NWChemOutputFormatE -u > >> _ZTVN9OpenBabel17NWChemInputFormatE -u > >> _ZTVN9OpenBabel18OBOpenDXCubeFormatE -u _ZTVN9OpenBabel12OutputFormatE > >> -u _ZTVN9OpenBabel13PCModelFormatE -u _ZTVN9OpenBabel9PDBFormatE -u > >> _ZTVN9OpenBabel11PDBQTFormatE -u _ZTVN9OpenBabel9PNGFormatE -u > >> _ZTVN9OpenBabel12PovrayFormatE -u _ZTVN9OpenBabel9PQRFormatE -u > >> _ZTVN9OpenBabel9PQSFormatE -u _ZTVN9OpenBabel11PWscfFormatE -u > >> _ZTVN9OpenBabel17QChemOutputFormatE -u > >> _ZTVN9OpenBabel16QChemInputFormatE -u _ZTVN9OpenBabel12ReportFormatE > >> -u _ZTVN9OpenBabel14SmiReactFormatE -u _ZTVN9OpenBabel9RXNFormatE -u > >> _ZTVN9OpenBabel11ShelXFormatE -u _ZTVN9OpenBabel9SMIFormatE -u > >> _ZTVN9OpenBabel12CANSMIFormatE -u _ZTVN9OpenBabel9FIXFormatE -u > >> _ZTVN9OpenBabel9SVGFormatE -u _ZTVN9OpenBabel10TextFormatE -u > >> _ZTVN9OpenBabel12ThermoFormatE -u _ZTVN9OpenBabel12TinkerFormatE -u > >> _ZTVN9OpenBabel11TitleFormatE -u _ZTVN9OpenBabel15TurbomoleFormatE -u > >> _ZTVN9OpenBabel13UniChemFormatE -u _ZTVN9OpenBabel10VASPFormatE -u > >> _ZTVN9OpenBabel13ViewMolFormatE -u _ZTVN9OpenBabel9XEDFormatE -u > >> _ZTVN9OpenBabel9XTCFormatE -u _ZTVN9OpenBabel9XYZFormatE -u > >> _ZTVN9OpenBabel9YOBFormatE -u _ZTVN9OpenBabel11ZINDOFormatE -u > >> _ZTVN9OpenBabel17ChemDrawXMLFormatE -u _ZTVN9OpenBabel9CMLFormatE -u > >> _ZTVN9OpenBabel14CMLReactFormatE -u _ZTVN9OpenBabel13PubChemFormatE -u > >> _ZTVN9OpenBabel9XMLFormatE -u _ZTVN9OpenBabel9CanSmilesE -u > >> _ZTVN9OpenBabel14CompoundFilterE -u _ZTVN9OpenBabel8MWFilterE -u > >> _ZTVN9OpenBabel12SmartsFilterE -u _ZTVN9OpenBabel11TitleFilterE -u > >> _ZTVN9OpenBabel17FormulaDescriptorE -u _ZTVN9OpenBabel7FPCountE -u > >> _ZTVN9OpenBabel11InChIFilterE -u _ZTVN9OpenBabel16SmartsDescriptorE -u > >> _ZTVN9OpenBabel12fingerprint2E -u _ZTVN9OpenBabel9PatternFPE -u > >> _ZTVN9OpenBabel16OBForceFieldGaffE -u > >> _ZTVN9OpenBabel20OBForceFieldGhemicalE -u > >> _ZTVN9OpenBabel18OBForceFieldMMFF94E -u > >> _ZTVN9OpenBabel15OBForceFieldUFFE -u _ZTVN9OpenBabel12OpAddInIndexE -u > >> _ZTVN9OpenBabel11OpAddPolarHE -u _ZTVN9OpenBabel11OpCanonicalE -u > >> _ZTVN9OpenBabel11OpConformerE -u _ZTVN9OpenBabel8OpFillUCE -u > >> _ZTVN9OpenBabel8OpEnergyE -u _ZTVN9OpenBabel10OpMinimizeE -u > >> _ZTVN9OpenBabel7OpGen2DE -u _ZTVN9OpenBabel7OpGen3DE -u > >> _ZTVN9OpenBabel4Op2DE -u _ZTVN9OpenBabel6OpNewSE -u > >> _ZTVN9OpenBabel15OpPartialChargeE -u > >> _ZTVN9OpenBabel16OpReadConformersE -u _ZTVN9OpenBabel6OpSortE -u > >> _ZTVN9OpenBabel8OpUniqueE -u _ZTVN9OpenBabel10OpExtraOutE -u > >> _ZTVN9OpenBabel16GasteigerChargesE -u _ZTVN9OpenBabel13MMFF94ChargesE > >> -u _ZTVN9OpenBabel10QEqChargesE -u _ZTVN9OpenBabel12QTPIEChargesE > >> -static -I/usr/local/include/openbabel-2.0 -o > >> CMakeFiles/myexe.dir/myexe.cpp.o -c > >> /home/timvdm/openbabel-gitsvn/doc/examples/static_executable/myexe.cpp > >> Linking CXX executable myexe > >> /usr/bin/cmake -E cmake_link_script CMakeFiles/myexe.dir/link.txt > >> --verbose=1 > >> /usr/bin/c++ -u _ZTVN9OpenBabel9ACRFormatE -u > >> _ZTVN9OpenBabel15ADFOutputFormatE -u _ZTVN9OpenBabel14ADFInputFormatE > >> -u _ZTVN9OpenBabel11OBT41FormatE -u _ZTVN9OpenBabel13AlchemyFormatE -u > >> _ZTVN9OpenBabel15AmberPrepFormatE -u _ZTVN9OpenBabel14OBAPIInterfaceE > >> -u _ZTVN9OpenBabel15BallStickFormatE -u _ZTVN9OpenBabel9BGFFormatE -u > >> _ZTVN9OpenBabel9BoxFormatE -u _ZTVN9OpenBabel11CacaoFormatE -u > >> _ZTVN9OpenBabel11CacheFormatE -u _ZTVN9OpenBabel9CARFormatE -u > >> _ZTVN9OpenBabel9CCCFormatE -u _ZTVN9OpenBabel13CHEM3D1FormatE -u > >> _ZTVN9OpenBabel13CHEM3D2FormatE -u > >> _ZTVN9OpenBabel20ChemDrawBinaryFormatE -u > >> _ZTVN9OpenBabel14ChemDrawFormatE -u _ZTVN9OpenBabel13ChemKinFormatE -u > >> _ZTVN9OpenBabel9CHTFormatE -u _ZTVN9OpenBabel9CIFFormatE -u > >> _ZTVN9OpenBabel10CopyFormatE -u _ZTVN9OpenBabel11CRK2DFormatE -u > >> _ZTVN9OpenBabel11CRK3DFormatE -u _ZTVN9OpenBabel9CSRFormatE -u > >> _ZTVN9OpenBabel10CSSRFormatE -u _ZTVN9OpenBabel18DlpolyConfigFormatE > >> -u _ZTVN9OpenBabel19DlpolyHISTORYFormatE -u > >> _ZTVN9OpenBabel10DMolFormatE -u _ZTVN9OpenBabel9XXXFormatE -u > >> _ZTVN9OpenBabel11FASTAFormatE -u _ZTVN9OpenBabel16FastSearchFormatE -u > >> _ZTVN9OpenBabel10FCHKFormatE -u _ZTVN9OpenBabel10FEATFormatE -u > >> _ZTVN9OpenBabel16FenskeZmatFormatE -u _ZTVN9OpenBabel13FHIainsFormatE > >> -u _ZTVN9OpenBabel17FingerprintFormatE -u > >> _ZTVN9OpenBabel24FreeFormFractionalFormatE -u > >> _ZTVN9OpenBabel18GAMESSOutputFormatE -u > >> _ZTVN9OpenBabel17GAMESSInputFormatE -u > >> _ZTVN9OpenBabel14GAMESSUKFormatE -u > >> _ZTVN9OpenBabel19GAMESSUKInputFormatE -u > >> _ZTVN9OpenBabel20GAMESSUKOutputFormatE -u > >> _ZTVN9OpenBabel20OBGaussianCubeFormatE -u > >> _ZTVN9OpenBabel20GaussianOutputFormatE -u > >> _ZTVN9OpenBabel19GaussianInputFormatE -u > >> _ZTVN9OpenBabel26GaussianZMatrixInputFormatE -u > >> _ZTVN9OpenBabel13GenBankFormatE -u _ZTVN9OpenBabel14GhemicalFormatE -u > >> _ZTVN9OpenBabel14GROMOS96FormatE -u _ZTVN9OpenBabel10GULPFormatE -u > >> _ZTVN9OpenBabel9HINFormatE -u _ZTVN9OpenBabel18JaguarOutputFormatE -u > >> _ZTVN9OpenBabel17JaguarInputFormatE -u _ZTVN9OpenBabel10MCDLFormatE -u > >> _ZTVN9OpenBabel9MDLFormatE -u _ZTVN9OpenBabel9MOLFormatE -u > >> _ZTVN9OpenBabel9SDFFormatE -u _ZTVN9OpenBabel11mmCIFFormatE -u > >> _ZTVN9OpenBabel14MacroModFormatE -u _ZTVN9OpenBabel9MNAFormatE -u > >> _ZTVN9OpenBabel10MOL2FormatE -u _ZTVN9OpenBabel14OBMoldenFormatE -u > >> _ZTVN9OpenBabel18MolproOutputFormatE -u > >> _ZTVN9OpenBabel17MolproInputFormatE -u > >> _ZTVN9OpenBabel15MolReportFormatE -u _ZTVN9OpenBabel11MOPACFormatE -u > >> _ZTVN9OpenBabel15MOPACCARTFormatE -u _ZTVN9OpenBabel14MOPACINTFormatE > >> -u _ZTVN9OpenBabel9MPDFormatE -u _ZTVN9OpenBabel10MPQCFormatE -u > >> _ZTVN9OpenBabel15MPQCInputFormatE -u _ZTVN9OpenBabel9MSIFormatE -u > >> _ZTVN9OpenBabel12OBMSMSFormatE -u _ZTVN9OpenBabel9NulFormatE -u > >> _ZTVN9OpenBabel18NWChemOutputFormatE -u > >> _ZTVN9OpenBabel17NWChemInputFormatE -u > >> _ZTVN9OpenBabel18OBOpenDXCubeFormatE -u _ZTVN9OpenBabel12OutputFormatE > >> -u _ZTVN9OpenBabel13PCModelFormatE -u _ZTVN9OpenBabel9PDBFormatE -u > >> _ZTVN9OpenBabel11PDBQTFormatE -u _ZTVN9OpenBabel9PNGFormatE -u > >> _ZTVN9OpenBabel12PovrayFormatE -u _ZTVN9OpenBabel9PQRFormatE -u > >> _ZTVN9OpenBabel9PQSFormatE -u _ZTVN9OpenBabel11PWscfFormatE -u > >> _ZTVN9OpenBabel17QChemOutputFormatE -u > >> _ZTVN9OpenBabel16QChemInputFormatE -u _ZTVN9OpenBabel12ReportFormatE > >> -u _ZTVN9OpenBabel14SmiReactFormatE -u _ZTVN9OpenBabel9RXNFormatE -u > >> _ZTVN9OpenBabel11ShelXFormatE -u _ZTVN9OpenBabel9SMIFormatE -u > >> _ZTVN9OpenBabel12CANSMIFormatE -u _ZTVN9OpenBabel9FIXFormatE -u > >> _ZTVN9OpenBabel9SVGFormatE -u _ZTVN9OpenBabel10TextFormatE -u > >> _ZTVN9OpenBabel12ThermoFormatE -u _ZTVN9OpenBabel12TinkerFormatE -u > >> _ZTVN9OpenBabel11TitleFormatE -u _ZTVN9OpenBabel15TurbomoleFormatE -u > >> _ZTVN9OpenBabel13UniChemFormatE -u _ZTVN9OpenBabel10VASPFormatE -u > >> _ZTVN9OpenBabel13ViewMolFormatE -u _ZTVN9OpenBabel9XEDFormatE -u > >> _ZTVN9OpenBabel9XTCFormatE -u _ZTVN9OpenBabel9XYZFormatE -u > >> _ZTVN9OpenBabel9YOBFormatE -u _ZTVN9OpenBabel11ZINDOFormatE -u > >> _ZTVN9OpenBabel17ChemDrawXMLFormatE -u _ZTVN9OpenBabel9CMLFormatE -u > >> _ZTVN9OpenBabel14CMLReactFormatE -u _ZTVN9OpenBabel13PubChemFormatE -u > >> _ZTVN9OpenBabel9XMLFormatE -u _ZTVN9OpenBabel9CanSmilesE -u > >> _ZTVN9OpenBabel14CompoundFilterE -u _ZTVN9OpenBabel8MWFilterE -u > >> _ZTVN9OpenBabel12SmartsFilterE -u _ZTVN9OpenBabel11TitleFilterE -u > >> _ZTVN9OpenBabel17FormulaDescriptorE -u _ZTVN9OpenBabel7FPCountE -u > >> _ZTVN9OpenBabel11InChIFilterE -u _ZTVN9OpenBabel16SmartsDescriptorE -u > >> _ZTVN9OpenBabel12fingerprint2E -u _ZTVN9OpenBabel9PatternFPE -u > >> _ZTVN9OpenBabel16OBForceFieldGaffE -u > >> _ZTVN9OpenBabel20OBForceFieldGhemicalE -u > >> _ZTVN9OpenBabel18OBForceFieldMMFF94E -u > >> _ZTVN9OpenBabel15OBForceFieldUFFE -u _ZTVN9OpenBabel12OpAddInIndexE -u > >> _ZTVN9OpenBabel11OpAddPolarHE -u _ZTVN9OpenBabel11OpCanonicalE -u > >> _ZTVN9OpenBabel11OpConformerE -u _ZTVN9OpenBabel8OpFillUCE -u > >> _ZTVN9OpenBabel8OpEnergyE -u _ZTVN9OpenBabel10OpMinimizeE -u > >> _ZTVN9OpenBabel7OpGen2DE -u _ZTVN9OpenBabel7OpGen3DE -u > >> _ZTVN9OpenBabel4Op2DE -u _ZTVN9OpenBabel6OpNewSE -u > >> _ZTVN9OpenBabel15OpPartialChargeE -u > >> _ZTVN9OpenBabel16OpReadConformersE -u _ZTVN9OpenBabel6OpSortE -u > >> _ZTVN9OpenBabel8OpUniqueE -u _ZTVN9OpenBabel10OpExtraOutE -u > >> _ZTVN9OpenBabel16GasteigerChargesE -u _ZTVN9OpenBabel13MMFF94ChargesE > >> -u _ZTVN9OpenBabel10QEqChargesE -u _ZTVN9OpenBabel12QTPIEChargesE > >> -static CMakeFiles/myexe.dir/myexe.cpp.o -o myexe -rdynamic > >> /usr/local/lib/libopenbabel.so.4.0.0 -lm -ldl -lz -Wl,-Bstatic > >> -Wl,-rpath,/usr/local/lib: > >> > >> > >> > Igor > >> > > >> > > >> > On Sat, 2010-10-16 at 10:23 -0400, Tim Vandermeersch wrote: > >> >> On Fri, Oct 15, 2010 at 11:40 PM, Igor Filippov [Contr] > >> >> <filipp...@mail.nih.gov> wrote: > >> >> > It builds nicely on Fedora 12, x64 system. > >> >> > Some points: > >> >> > > >> >> > 1) When building with -DBUILD_SHARED=no one needs to make sure static > >> >> > zlib exists somewhere (libz.a) otherwise the error message which cmake > >> >> > gives is somewhat confusing. > >> >> > > >> >> > 2) build/lib is full of dynamic libs (.so) even with BUILD_SHARED=no. > >> >> > There is a static libopenbabel.a is build/src, which is great, but > >> >> > linking against it gives the following error: > >> >> > undefined reference to `OpenBabel::OBMol::FindChiralCenters()' > >> >> > collect2: ld returned 1 exit status > >> >> > > >> >> > babel executable seems to be linked statically though so perhaps I'm > >> >> > not > >> >> > linking correctly? > >> >> > >> >> Something like this should work: > >> >> > >> >> g++ -static myexe.cpp.o -o myexe /usr/local/lib/libopenbabel.a > >> >> -Wl,-Bstatic -lm -lz > >> >> > >> >> I'll reply in a separate thread with more details on static building. > >> >> The MinGW page (http://openbabel.org/wiki/Install_%28MinGW%29) is > >> >> updated but it doesn't address handling plugins yet. > >> >> > >> >> Tim > >> >> > >> >> > 3) The version is still set at 2.2.99 not 2.3.0 :) > >> >> > > >> >> > Thanks! > >> >> > Igor > >> >> > > >> >> > > >> >> > On Fri, 2010-10-15 at 16:56 -0400, Geoffrey Hutchison wrote: > >> >> >> I have uploaded a source-code only version of the 2.3.0 release > >> >> >> candidate 1. > >> >> >> http://sourceforge.net/projects/openbabel/files/openbabel-snapshots/2010-10-15/openbabel-2.3.0rc1-20101015-r4206.tar.gz/download > >> >> >> > >> >> >> Please give this a try and see if there are glaring bugs, issues, > >> >> >> etc. Over the next week, we will be working on fixing up the > >> >> >> documentation the website, etc. > >> >> >> > >> >> >> Let us know what you think -- we look forward to a good release on > >> >> >> Oct. 23rd. > >> >> >> > >> >> >> Thanks, > >> >> >> -Geoff > >> >> >> > >> >> >> --- > >> >> >> Prof. Geoffrey Hutchison > >> >> >> Department of Chemistry > >> >> >> University of Pittsburgh > >> >> >> tel: (412) 648-0492 > >> >> >> email: geo...@pitt.edu > >> >> >> web: http://hutchison.chem.pitt.edu/ > >> >> >> > >> >> >> > >> >> >> ------------------------------------------------------------------------------ > >> >> >> Download new Adobe(R) Flash(R) Builder(TM) 4 > >> >> >> The new Adobe(R) Flex(R) 4 and Flash(R) Builder(TM) 4 (formerly > >> >> >> Flex(R) Builder(TM)) enable the development of rich applications > >> >> >> that run > >> >> >> across multiple browsers and platforms. Download your free trials > >> >> >> today! > >> >> >> http://p.sf.net/sfu/adobe-dev2dev > >> >> >> _______________________________________________ > >> >> >> OpenBabel-Devel mailing list > >> >> >> OpenBabel-Devel@lists.sourceforge.net > >> >> >> https://lists.sourceforge.net/lists/listinfo/openbabel-devel > >> >> > > >> >> > > >> >> > > >> >> > ------------------------------------------------------------------------------ > >> >> > Download new Adobe(R) Flash(R) Builder(TM) 4 > >> >> > The new Adobe(R) Flex(R) 4 and Flash(R) Builder(TM) 4 (formerly > >> >> > Flex(R) Builder(TM)) enable the development of rich applications that > >> >> > run > >> >> > across multiple browsers and platforms. Download your free trials > >> >> > today! > >> >> > http://p.sf.net/sfu/adobe-dev2dev > >> >> > _______________________________________________ > >> >> > OpenBabel-discuss mailing list > >> >> > openbabel-disc...@lists.sourceforge.net > >> >> > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > >> >> > > >> > > >> > > >> > > > > > > > ------------------------------------------------------------------------------ Download new Adobe(R) Flash(R) Builder(TM) 4 The new Adobe(R) Flex(R) 4 and Flash(R) Builder(TM) 4 (formerly Flex(R) Builder(TM)) enable the development of rich applications that run across multiple browsers and platforms. Download your free trials today! http://p.sf.net/sfu/adobe-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
