Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-25 Thread Tim Vandermeersch
On Mon, Oct 25, 2010 at 8:16 PM, Igor Filippov [Contr] wrote: > Dear All, > > I'm not able to get a static compilation (-DBUILD_SHARED=no) on either > OSX or Windows (MinGW). On OSX it fails at 81% "building babel.o", on > MinGW at 23% "building mcdlutil.obj". If anyone was successful on either >

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-25 Thread Igor Filippov [Contr]
Dear All, I'm not able to get a static compilation (-DBUILD_SHARED=no) on either OSX or Windows (MinGW). On OSX it fails at 81% "building babel.o", on MinGW at 23% "building mcdlutil.obj". If anyone was successful on either platform I would appreciate any pointers! Regards, Igor On Mon, 2010-10

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-25 Thread Igor Filippov [Contr]
Good call, after installing eigen and eigen2 (not sure which one is necessary) I got everything compiled and was able to run the tests. 84% tests passed, 9 tests failed out of 57 The following tests FAILED: 3 - builder_Test (Failed) 10 - isomorphism_Test (SEGFAULT) 11

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-25 Thread Geoffrey Hutchison
On Oct 25, 2010, at 11:49 AM, Igor Filippov [Contr] wrote: > The bigger problem is, even after I install static libxml2 the > compilation step fails for me. I'm attaching make.out output of "make". You don't have Eigen installed, do you? -Geoff -

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-25 Thread Igor Filippov [Contr]
Tim, The "cmake" step now requires static libxml2 installed, otherwise it fails - not a problem, just something people should be aware of. The output when lixml2.a is absent is attached - cmake.out; The bigger problem is, even after I install static libxml2 the compilation step fails for me. I'm

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-22 Thread Igor Filippov [Contr]
Tim, > > With r4240, plugins are now included in an executable without any > additional hacks. It's all done in C++ which means it is also easier > to maintain for different compilers. This also means that the tests > can now be executed for static builds. This helped me identify some > missing p

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-21 Thread Tim Vandermeersch
On Thu, Oct 21, 2010 at 1:35 AM, Tim Vandermeersch wrote: > On Wed, Oct 20, 2010 at 4:29 PM, Igor Filippov [Contr] > wrote: >> Tim, >> >>> I'll take a look since it is an important format to support. This >>> should be the last major issue for static building though. >>> >> >> Great - thank you!

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-20 Thread Tim Vandermeersch
On Wed, Oct 20, 2010 at 4:29 PM, Igor Filippov [Contr] wrote: > Tim, > >> I'll take a look since it is an important format to support. This >> should be the last major issue for static building though. >> > > Great - thank you! Could the static_plugins.o be also compiled into > libopenbabel.a by d

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-20 Thread Igor Filippov [Contr]
Tim, > I'll take a look since it is an important format to support. This > should be the last major issue for static building though. > Great - thank you! Could the static_plugins.o be also compiled into libopenbabel.a by default? I think this would make sense... Igor

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-19 Thread Tim Vandermeersch
On Tue, Oct 19, 2010 at 5:28 PM, Igor Filippov [Contr] wrote: > >> >> static_plugins.cpp only contains a few formats since including all >> formats in a single cpp file can take a long time/memory to compile. > True, but piece-meal inclusion with flags such as WITH_COMMON_FORMATS seems a > very r

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-19 Thread Igor Filippov [Contr]
> > static_plugins.cpp only contains a few formats since including all > formats in a single cpp file can take a long time/memory to compile. True, but piece-meal inclusion with flags such as WITH_COMMON_FORMATS seems a very reasonable approach. It would be great if a set of such flags covered t

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-19 Thread Tim Vandermeersch
On Mon, Oct 18, 2010 at 10:33 PM, Igor Filippov [Contr] wrote: > 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] > md

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-18 Thread Igor Filippov [Contr]
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 -- Syby

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-18 Thread Tim Vandermeersch
On Mon, Oct 18, 2010 at 9:49 PM, Igor Filippov [Contr] 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

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-18 Thread Igor Filippov [Contr]
Replying to my own message - I can happily report some progress: I was able to get a functioning executable by linking with libopenbabel.a AND static_plugins.o: g++ -fopenmp -g -O3 -fPIC -o osra osra.o osra_anisotropic.o osra_ocr.o osra_openbabel.o mcdlutil.o unpaper.o -L/usr/local//src/ -lpotra

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-18 Thread Igor Filippov [Contr]
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/inclu

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-18 Thread Tim Vandermeersch
Hi, On Mon, Oct 18, 2010 at 8:28 PM, Igor Filippov [Contr] 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

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-18 Thread Igor Filippov [Contr]
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.or

Re: [OpenBabel-Devel] [Open Babel] Version 2.3.0 Release Candidate 1

2010-10-16 Thread Tim Vandermeersch
On Fri, Oct 15, 2010 at 11:40 PM, Igor Filippov [Contr] 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 confusin