commit openbabel for openSUSE:Factory
Hello community, here is the log from the commit of package openbabel for openSUSE:Factory checked in at Mon Jun 27 11:01:02 CEST 2011. -------- --- KDE/openbabel/openbabel.changes 2010-09-13 02:57:23.000000000 +0200 +++ /mounts/work_src_done/STABLE/openbabel/openbabel.changes 2011-06-24 12:51:29.000000000 +0200 @@ -1,0 +2,36 @@ +Sat Jun 18 10:52:25 UTC 2011 - dhall@wustl.edu + +- use rpm %ifarch + +------------------------------------------------------------------- +Fri Jun 17 23:55:56 UTC 2011 - dhall@wustl.edu + +- Updated to OpenBabel 2.3.0 + * Completely rewritten stereochemistry perception, including support + for tetrahedral, square planar, and higher-order stereochemistry. + * Dramatically improved canonicalization algorithm (Note that in general, canonical SMILES have changed since the 2.2.x release.) + * 2D depiction, including SVG vector graphics generation using code from MCDL. + * New Spectrophore generation, contributed by Silicos NV. + * New ChargeMethod API including support for partial charge assignment + from Gasteiger, MMFF94, QEq, QTPIE methods and plugin interface for + adding more. + * Improved 3D coordinate generation. + * New conformer generation framework, including support for diverse + conformer generation and genetic algorithm lowest-energy searching. + * Improved user documentation. + * Improved aromaticity / Kekule bond assignment. + * Improved unit test suite using the CMake-based CTest program. + * Improved support for crystallographic unit cells (e.g., in CIF format). + * Improved UFF force field method, including hypervalent 5, 6, 7 and higher coordination numbers. + * Support for the GAFF (Generalized Amber Force Field) method. + * Support for reading geometry optimizations as multiple conformers + from Gaussian, GAMESS-US, and other quantum chemistry packages. + * Support for reading molecular orbital energies from quantum chemistry formats. + * Several memory leaks fixed. + * Fixed many compiler warnings. + * Fixed support for MinGW and Cygwin environments. + * Fixed bugs with Gaussian 09 output files. + * Latest released version of the InChI library (1.0.3) generating standard InChI. + * Many more bug fixes and small feature improvements. + +------------------------------------------------------------------- calling whatdependson for head-i586 Old: ---- build-checks.diff openbabel-2.2.3-crippled.tar.bz2 openbabel-2.2.3-no-build-date.patch New: ---- openbabel-2.3.0-crippled.tar.bz2 openbabel-2.3.0-no-build-date.patch ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ openbabel.spec ++++++ --- /var/tmp/diff_new_pack.wxWaZg/_old 2011-06-27 10:56:55.000000000 +0200 +++ /var/tmp/diff_new_pack.wxWaZg/_new 2011-06-27 10:56:56.000000000 +0200 @@ -1,7 +1,7 @@ # -# spec file for package openbabel (Version 2.2.3) +# spec file for package openbabel # -# Copyright (c) 2010 SUSE LINUX Products GmbH, Nuernberg, Germany. +# Copyright (c) 2011 SUSE LINUX Products GmbH, Nuernberg, Germany. # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed @@ -18,18 +18,17 @@ Name: openbabel -Version: 2.2.3 -Release: 2 +Version: 2.3.0 +Release: 1 License: GPLv2 BuildRoot: %{_tmppath}/%{name}-%{version}-build -BuildRequires: gcc-c++ libxml2-devel pkg-config swig zlib-devel +BuildRequires: cmake gcc-c++ libxml2-devel pkg-config swig zlib-devel Group: Development/Libraries/C and C++ Summary: Open Babel - The Open Source Chemistry Toolbox Url: http://openbabel.sourceforge.net/ Source: %name-%version-crippled.tar.bz2 Source99: cripple_source.sh -Patch0: build-checks.diff -Patch1: openbabel-2.2.3-no-build-date.patch +Patch0: openbabel-2.3.0-no-build-date.patch %description Open Babel is a chemical toolbox designed to speak the many languages @@ -45,12 +44,12 @@ Geoff Hutchison Chris Morley -%package -n libopenbabel3 +%package -n libopenbabel4 License: GPLv2 Summary: Open Babel - The Open Source Chemistry Toolbox Group: Development/Libraries/C and C++ -%description -n libopenbabel3 +%description -n libopenbabel4 Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, @@ -68,7 +67,7 @@ License: GPLv2 Summary: Open Babel - The Open Source Chemistry Toolbox Group: Development/Libraries/C and C++ -Requires: libopenbabel3 = %version +Requires: libopenbabel4 = %version Requires: zlib-devel %description -n libopenbabel-devel @@ -88,18 +87,21 @@ %prep %setup %patch0 -%patch1 %build -%configure -%{__make} %{?jobs:-j %jobs} +%define libsuffix "" +%ifarch x86_64 +%define libsuffix 64 +%endif +cmake -DCMAKE_INSTALL_PREFIX=%{_prefix} -DLIB_SUFFIX=%libsuffix -DBUILD_ROOT=%{buildroot} . +make %{?_smp_mflags} %install %makeinstall -%post -n libopenbabel3 -p /sbin/ldconfig +%post -n libopenbabel4 -p /sbin/ldconfig -%postun -n libopenbabel3 -p /sbin/ldconfig +%postun -n libopenbabel4 -p /sbin/ldconfig %clean %{__rm} -rf $RPM_BUILD_ROOT @@ -108,22 +110,22 @@ %defattr(-,root,root,-) %{_libdir}/openbabel %{_bindir}/roundtrip -/usr/share/openbabel -/usr/share/man/man1/* -/usr/bin/ob* -/usr/bin/babel +%{_datadir}/openbabel +%{_mandir}/man1/* +%{_bindir}/ob* +%{_bindir}/babel -%files -n libopenbabel3 +%files -n libopenbabel4 %defattr(-,root,root,-) %{_libdir}/*.so.* %files -n libopenbabel-devel %defattr(-,root,root,-) %{_libdir}/pkgconfig/openbabel-2.0.pc -/usr/include/inchi102 +%dir %{_includedir}/inchi +%{_includedir}/inchi/inchi_api.h %dir %{_includedir}/openbabel-2.0 %{_includedir}/openbabel-2.0/openbabel/ %{_libdir}/*.so -%{_libdir}/*.la %changelog ++++++ cripple_source.sh ++++++ --- /var/tmp/diff_new_pack.wxWaZg/_old 2011-06-27 10:56:56.000000000 +0200 +++ /var/tmp/diff_new_pack.wxWaZg/_new 2011-06-27 10:56:56.000000000 +0200 @@ -1,7 +1,7 @@ #!/bin/bash REMOVE_DIRS=( -windows-vc2005 +windows-vc2008 ) set -o errexit ++++++ openbabel-2.2.3-crippled.tar.bz2 -> openbabel-2.3.0-crippled.tar.bz2 ++++++ KDE/openbabel/openbabel-2.2.3-crippled.tar.bz2 /mounts/work_src_done/STABLE/openbabel/openbabel-2.3.0-crippled.tar.bz2 differ: byte 11, line 1 ++++++ openbabel-2.2.3-no-build-date.patch -> openbabel-2.3.0-no-build-date.patch ++++++ --- KDE/openbabel/openbabel-2.2.3-no-build-date.patch 2010-09-13 02:57:20.000000000 +0200 +++ /mounts/work_src_done/STABLE/openbabel/openbabel-2.3.0-no-build-date.patch 2011-06-18 00:27:42.000000000 +0200 @@ -1,8 +1,6 @@ -Index: tools/babel.cpp -=================================================================== ---- tools/babel.cpp.orig -+++ tools/babel.cpp -@@ -98,8 +98,7 @@ int main(int argc,char *argv[]) +--- tools/babel.cpp.orig 2011-03-25 16:31:16.899756933 -0400 ++++ tools/babel.cpp 2011-03-25 16:31:47.902050683 -0400 +@@ -98,8 +98,7 @@ case 'V': { @@ -12,7 +10,7 @@ exit(0); } -@@ -395,8 +394,7 @@ void DoOption(const char* p, OBConversio +@@ -402,8 +401,7 @@ void usage() { @@ -22,3 +20,25 @@ cout << "Usage: " << program_name << " [-i<input-type>] <name> [-o<output-type>] <name>" << endl; cout << "Try -H option for more information." << endl; +--- tools/obabel.cpp.orig 2011-03-25 16:32:53.186757297 -0400 ++++ tools/obabel.cpp 2011-03-25 16:33:22.232757664 -0400 +@@ -99,8 +99,7 @@ + + case 'V': + { +- cout << "Open Babel " << BABEL_VERSION << " -- " +- << __DATE__ << " -- " << __TIME__ << endl; ++ cout << "Open Babel " << BABEL_VERSION << endl; + exit(0); + } + +@@ -402,8 +401,7 @@ + + void usage() + { +- cout << "Open Babel " << BABEL_VERSION << " -- " << __DATE__ << " -- " +- << __TIME__ << endl; ++ cout << "Open Babel " << BABEL_VERSION << endl; + cout << "Usage:\n" << program_name + << " [-i<input-type>] <infilename> [-o<output-type>] -O<outfilename> [Options]" << endl; + cout << "Try -H option for more information." << endl; ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Remember to have fun... -- To unsubscribe, e-mail: opensuse-commit+unsubscribe@opensuse.org For additional commands, e-mail: opensuse-commit+help@opensuse.org
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root@hilbert.suse.de