commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2020-04-18 00:33:27
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new.2738 (New)
Package is "openbabel"
Sat Apr 18 00:33:27 2020 rev:36 rq:794985 version:2.4.1
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2018-05-16
18:44:47.644354344 +0200
+++ /work/SRC/openSUSE:Factory/.openbabel.new.2738/openbabel.changes
2020-04-18 00:33:56.134487801 +0200
@@ -1,0 +2,8 @@
+Mon Mar 30 11:23:08 UTC 2020 - Martin Pluskal
+
+- Modernise spec file
+- Drop old conditionals
+- Use ninja as builder
+- Build only python3 bindings
+
+---
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.AQyBba/_old 2020-04-18 00:33:56.962489516 +0200
+++ /var/tmp/diff_new_pack.AQyBba/_new 2020-04-18 00:33:56.966489523 +0200
@@ -1,7 +1,7 @@
#
# spec file for package openbabel
#
-# Copyright (c) 2018 SUSE LINUX GmbH, Nuernberg, Germany.
+# Copyright (c) 2020 SUSE LLC
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -12,33 +12,33 @@
# license that conforms to the Open Source Definition (Version 1.9)
# published by the Open Source Initiative.
-# Please submit bugfixes or comments via http://bugs.opensuse.org/
+# Please submit bugfixes or comments via https://bugs.opensuse.org/
#
Name: openbabel
Version:2.4.1
-Release:1.5
+Release:0
Summary:A chemistry toolbox
-License:GPL-2.0
+License:GPL-2.0-only
Group: Development/Libraries/C and C++
-Url:http://openbabel.sourceforge.net/
+URL:http://openbabel.sourceforge.net/
Source0:
https://sourceforge.net/projects/openbabel/files/openbabel/%{version}/%{name}-%{version}.tar.gz
Source1:%{name}.changes
Source2:baselibs.conf
Patch0: fix_narrowing.patch
Patch1: fix_yasara.patch
-BuildRequires: cairo-devel
BuildRequires: cmake >= 2.4.8
-BuildRequires: eigen3-devel
+BuildRequires: ninja
BuildRequires: gcc-c++
-BuildRequires: libxml2-devel
BuildRequires: pkgconfig
-BuildRequires: python-devel
BuildRequires: swig
-BuildRequires: zlib-devel
BuildRequires: wxWidgets-devel
-BuildRoot: %{_tmppath}/%{name}-%{version}-build
+BuildRequires: pkgconfig(cairo)
+BuildRequires: pkgconfig(eigen3)
+BuildRequires: pkgconfig(libxml-2.0)
+BuildRequires: pkgconfig(python3)
+BuildRequires: pkgconfig(zlib)
%description
Open Babel is a chemical toolbox understanding many formats of
@@ -66,12 +66,11 @@
from molecular modeling, chemistry, solid-state materials,
biochemistry, or related areas.
-%package -n python-openbabel
+%package -n python3-openbabel
Summary:Python bindings for Open Babel, a chemistry toolbox
Group: Productivity/Scientific/Chemistry
-%py_requires
-%description -n python-openbabel
+%description -n python3-openbabel
Open Babel is a chemical toolbox understanding many formats of
chemical data. It allows to search, convert, analyze, or store data
from molecular modeling, chemistry, solid-state materials,
@@ -81,7 +80,7 @@
Summary:Development files for Open Babel
Group: Development/Libraries/C and C++
Requires: libopenbabel5 = %{version}
-Requires: zlib-devel
+Requires: pkgconfig(zlib)
Provides: libopenbabel-devel = %{version}
Obsoletes: libopenbabel-devel < %{version}
@@ -104,32 +103,25 @@
sed -e "s/__DATE__/\"$FAKE_BUILDDATE\"/" -i tools/babel.cpp tools/obabel.cpp
%build
+%define __builder ninja
%cmake \
-%if 0%{?suse_version} > 1320
-%ifarch ppc64 ppc64le
- -DCMAKE_CXX_FLAGS="%{optflags} -std=gnu++98" \
-%endif
-%endif
- -DCMAKE_BUILD_TYPE="Release" \
-DRUN_SWIG=ON \
-DPYTHON_BINDINGS=ON \
- -DPYTHON_EXECUTABLE=%{_bindir}/python2 \
+ -DPYTHON_EXECUTABLE=%{_bindir}/python3 \
-DBUILD_GUI=FALSE \
- -ULIB_INSTALL_DIR
-make %{?_smp_mflags}
+ -ULIB_INSTALL_DIR \
+ -Wno-dev
+%cmake_build
%install
-pushd build
-make %{?_smp_mflags} DESTDIR=%{buildroot} install
+%cmake_install
%post -n libinchi0 -p /sbin/ldconfig
%postun -n libinchi0 -p /sbin/ldconfig
-
%post -n libopenbabel5 -p /sbin/ldconfig
%postun -n libopenbabel5 -p /sbin/ldconfig
%files
-%defattr(-,root,root,-)
%{_bindir}/roundtrip
%{_bindir}/ob*
%{_bindir}/babel
@@ -138,17 +130,14 @@
%{_datadir}/openbabel
%files -n libinchi0
-%defattr(-,root,root,-)
%{_libdir}/libinchi.so.0
%{_libdir}/libinchi.so.0.4.1
%files -n
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2018-05-16 18:43:06
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is "openbabel"
Wed May 16 18:43:06 2018 rev:35 rq:609063 version:2.4.1
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2018-05-16
11:43:49.143438906 +0200
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2018-05-16
18:44:47.644354344 +0200
@@ -1,0 +2,8 @@
+Wed May 16 06:43:44 UTC 2018 - guillaume.gar...@opensuse.org
+
+- Backport https://github.com/openbabel/openbabel/commit/e26491
+ * fix_narrowing.patch
+- Backport https://github.com/openbabel/openbabel/commit/8d707b
+ * fix_yasara.patch
+
+---
New:
fix_narrowing.patch
fix_yasara.patch
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.IMd97J/_old 2018-05-16 18:44:48.360328471 +0200
+++ /var/tmp/diff_new_pack.IMd97J/_new 2018-05-16 18:44:48.364328326 +0200
@@ -26,6 +26,8 @@
Source0:
https://sourceforge.net/projects/openbabel/files/openbabel/%{version}/%{name}-%{version}.tar.gz
Source1:%{name}.changes
Source2:baselibs.conf
+Patch0: fix_narrowing.patch
+Patch1: fix_yasara.patch
BuildRequires: cairo-devel
BuildRequires: cmake >= 2.4.8
BuildRequires: eigen3-devel
@@ -91,6 +93,8 @@
%prep
%setup -q
+%patch0 -p1
+%patch1 -p1
# fix builddate info
# Remove build time references so build-compare can do its work
++ fix_narrowing.patch ++
>From e26491017efefdc6aaf73d4d49f284f4e9436244 Mon Sep 17 00:00:00 2001
From: Noel O'Boyle
Date: Wed, 3 Jan 2018 21:27:53 +
Subject: [PATCH] Fix #1689 by using positive values and explicitly stating
unsigned char
---
src/formats/pngformat.cpp| 2 +-
src/formats/yasaraformat.cpp | 2 +-
2 files changed, 2 insertions(+), 2 deletions(-)
diff --git a/src/formats/pngformat.cpp b/src/formats/pngformat.cpp
index 49bff17fc..79f8a4902 100644
--- a/src/formats/pngformat.cpp
+++ b/src/formats/pngformat.cpp
@@ -218,7 +218,7 @@ bool PNGFormat::ReadMolecule(OBBase* pOb, OBConversion*
pConv)
_count=0;
_hasInputPngFile=true;
}
- const char pngheader[] = {-119,80,78,71,13,10,26,10,0};
+ const unsigned char pngheader[] = {137,80,78,71,13,10,26,10,0};
char readbytes[9];
ifs.read(readbytes, 8);
diff --git a/src/formats/yasaraformat.cpp b/src/formats/yasaraformat.cpp
index 25f7d2295..e666d0176 100644
--- a/src/formats/yasaraformat.cpp
+++ b/src/formats/yasaraformat.cpp
@@ -472,7 +472,7 @@ bool YOBFormat::WriteMolecule(OBBase* pOb, OBConversion*
pConv)
// bool hetatom;
char buffer[32],/*resname[4],*/atomname[5];
- char double1[8]={0,0,0,0,0,0,-16,0x3f};
+ unsigned char double1[8]={0,0,0,0,0,0,0xf0,0x3f};
// char *str;
int i,j,/*m,q,*/pos;
int /*resno,chainNum,link,linktype,*/atoms,element,links/*,chain*/;
++ fix_yasara.patch ++
>From 8d707b8ebbe1742b0f626032cd6227eeb62393ac Mon Sep 17 00:00:00 2001
From: Noel O'Boyle
Date: Thu, 4 Jan 2018 07:16:48 +
Subject: [PATCH] Fix yasara compile
---
src/formats/yasaraformat.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/src/formats/yasaraformat.cpp b/src/formats/yasaraformat.cpp
index e666d0176..884f13226 100644
--- a/src/formats/yasaraformat.cpp
+++ b/src/formats/yasaraformat.cpp
@@ -500,7 +500,7 @@ bool YOBFormat::WriteMolecule(OBBase* pOb, OBConversion*
pConv)
mem_set(buffer,0,8);
for (i=0;i<4;i++)
{ for (j=0;j<4;j++)
-{ if (i==j) ofs.write(double1,8);
+{ if (i==j) ofs.write((char*)double1,8);
else ofs.write(buffer,8); } }
storeint32le(buffer,MOB_INFOEND);
storeint32le([4],MOB_INFOENDSIZE);
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2018-05-16 11:41:56
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is "openbabel"
Wed May 16 11:41:56 2018 rev:34 rq:607497 version:2.4.1
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2018-02-22
15:03:05.576607606 +0100
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2018-05-16
11:43:49.143438906 +0200
@@ -1,0 +2,9 @@
+Sun May 13 17:29:16 UTC 2018 - wba...@tmo.at
+
+- Don't delete command line tools, include them in the main package
+ as with openbabel < 2.4
+- Pass -ULIB_INSTALL_DIR to unset this var, the %cmake macro sets
+ it to %{_libdir} resulting in a duplicate /usr in the module
+ search path which causes the plugins not to be found (boo#997190)
+
+---
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.T0H8qf/_old 2018-05-16 11:43:50.023406875 +0200
+++ /var/tmp/diff_new_pack.T0H8qf/_new 2018-05-16 11:43:50.027406730 +0200
@@ -110,14 +110,13 @@
-DRUN_SWIG=ON \
-DPYTHON_BINDINGS=ON \
-DPYTHON_EXECUTABLE=%{_bindir}/python2 \
- -DBUILD_GUI=FALSE
+ -DBUILD_GUI=FALSE \
+ -ULIB_INSTALL_DIR
make %{?_smp_mflags}
%install
pushd build
make %{?_smp_mflags} DESTDIR=%{buildroot} install
-rm -rf %{buildroot}/%{_bindir}
-rm -rf %{buildroot}/%{_datadir}/man
%post -n libinchi0 -p /sbin/ldconfig
%postun -n libinchi0 -p /sbin/ldconfig
@@ -127,6 +126,10 @@
%files
%defattr(-,root,root,-)
+%{_bindir}/roundtrip
+%{_bindir}/ob*
+%{_bindir}/babel
+%{_mandir}/man1/*
%{_libdir}/openbabel
%{_datadir}/openbabel
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2018-02-22 15:03:03
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is "openbabel"
Thu Feb 22 15:03:03 2018 rev:33 rq:578929 version:2.4.1
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2018-02-20
17:56:13.727972324 +0100
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2018-02-22
15:03:05.576607606 +0100
@@ -1,0 +2,5 @@
+Wed Feb 21 22:01:13 UTC 2018 - wba...@tmo.at
+
+- Provide/Obsolete libopenbabel-devel for compatibility
+
+---
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.zvKlaB/_old 2018-02-22 15:03:07.864525305 +0100
+++ /var/tmp/diff_new_pack.zvKlaB/_new 2018-02-22 15:03:07.864525305 +0100
@@ -80,6 +80,8 @@
Group: Development/Libraries/C and C++
Requires: libopenbabel5 = %{version}
Requires: zlib-devel
+Provides: libopenbabel-devel = %{version}
+Obsoletes: libopenbabel-devel < %{version}
%description devel
Open Babel is a chemical toolbox understanding many formats of
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2018-02-20 17:56:09
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is "openbabel"
Tue Feb 20 17:56:09 2018 rev:32 rq:578245 version:2.4.1
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2016-06-21
12:29:19.0 +0200
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2018-02-20
17:56:13.727972324 +0100
@@ -1,0 +2,35 @@
+Sun Feb 18 12:18:20 UTC 2018 - jeng...@inai.de
+
+- Fix RPM groups. Update descriptions.
+
+---
+Sat Feb 3 21:54:05 UTC 2018 - wba...@tmo.at
+
+- Force python2 by passing -DPYTHON_EXECUTABLE=%{_bindir}/python2
+ to cmake to fix build on Tumbleweed
+
+---
+Mon Feb 6 12:34:16 UTC 2017 - mailaen...@opensuse.org
+
+- build with wxWidgets support
+- add baselibs.conf
+- enable python support (for real now)
+- add libinchi0 and openbabel sub packages
+- correct the .so version suffix for libopenbabel
+- Drop openbabel-2.3.1-no-build-date.patch
+
+---
+Sun Nov 20 08:29:20 UTC 2016 - aloi...@gmx.com
+
+- Update to version 2.4.1, see
+ https://sourceforge.net/projects/openbabel/files/openbabel/2.4.0
+ for changelog
+- Dropped cripple_source.sh
+- Replaced openbabel-2.2.3-no-build-date.patch with
+ sed regex
+- Dropped build-checks.diff due to significant source
+ changes
+- Dropped python-installdir.patch (included upstream)
+- Dropped openbabel-gcc5.patch (included upstream)
+
+---
Old:
cripple_source.sh
openbabel-2.3.1-no-build-date.patch
openbabel-2.3.2-crippled.tar.bz2
openbabel-gcc5.patch
openbabel-gcc6.patch
python-installdir.patch
New:
openbabel-2.4.1.tar.gz
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.I7jC4n/_old 2018-02-20 17:56:16.115886343 +0100
+++ /var/tmp/diff_new_pack.I7jC4n/_new 2018-02-20 17:56:16.119886199 +0100
@@ -1,7 +1,7 @@
#
# spec file for package openbabel
#
-# Copyright (c) 2016 SUSE LINUX GmbH, Nuernberg, Germany.
+# Copyright (c) 2018 SUSE LINUX GmbH, Nuernberg, Germany.
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -17,116 +17,140 @@
Name: openbabel
-Version:2.3.2
-Release:0
-Summary:Open Babel - The Open Source Chemistry Toolbox
+Version:2.4.1
+Release:1.5
+Summary:A chemistry toolbox
License:GPL-2.0
Group: Development/Libraries/C and C++
Url:http://openbabel.sourceforge.net/
-Source: %{name}-%{version}-crippled.tar.bz2
-Source1:baselibs.conf
-Source99: cripple_source.sh
-# PATCH-FIX-OPENSUSE -- No build date
-Patch0: openbabel-2.3.1-no-build-date.patch
-# PATCH-FIX-UPSTREAM openbabel-gcc5.patch dims...@opensuse.org -- Fix build
with GCC5, taken from git
-Patch1: openbabel-gcc5.patch
-# PATCH-FIX-UPSTREAM openbabel-gcc6.patch mli...@suse.cz -- Fix build with GCC6
-Patch2: openbabel-gcc6.patch
-# PATCH-MERGED-UPSTREAM python-installdir.patch tchva...@suse.com -- Fix
bindings install dir
-Patch3: python-installdir.patch
-BuildRequires: cmake
+Source0:
https://sourceforge.net/projects/openbabel/files/openbabel/%{version}/%{name}-%{version}.tar.gz
+Source1:%{name}.changes
+Source2:baselibs.conf
+BuildRequires: cairo-devel
+BuildRequires: cmake >= 2.4.8
+BuildRequires: eigen3-devel
BuildRequires: gcc-c++
-BuildRequires: libeigen2-devel
+BuildRequires: libxml2-devel
BuildRequires: pkgconfig
BuildRequires: python-devel
BuildRequires: swig
BuildRequires: zlib-devel
-BuildRequires: pkgconfig(cairo)
-BuildRequires: pkgconfig(libxml-2.0)
+BuildRequires: wxWidgets-devel
BuildRoot: %{_tmppath}/%{name}-%{version}-build
%description
-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,
-chemistry, solid-state materials, biochemistry, or related areas.
-
-%package -n libopenbabel4
-Summary:Open Babel - The Open Source Chemistry Toolbox
-Group: Development/Libraries/C and C++
-
-%description -n libopenbabel4
-Open Babel is a chemical toolbox designed to speak the many languages
-of chemical data. It's an open, collaborative
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2016-06-21 11:30:46
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is "openbabel"
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2016-06-19
10:50:25.0 +0200
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2016-06-21
12:29:19.0 +0200
@@ -1,0 +2,5 @@
+Sun Jun 19 11:22:13 UTC 2016 - sch...@suse.de
+
+- openbabel-gcc6.patch: remove obsolete hunk
+
+---
Other differences:
--
++ openbabel-gcc6.patch ++
--- /var/tmp/diff_new_pack.J9aXwU/_old 2016-06-21 12:29:20.0 +0200
+++ /var/tmp/diff_new_pack.J9aXwU/_new 2016-06-21 12:29:20.0 +0200
@@ -1,24 +1,3 @@
-Index: openbabel-2.3.2/src/bitvec.cpp
-===
openbabel-2.3.2.orig/src/bitvec.cpp
-+++ openbabel-2.3.2/src/bitvec.cpp
-@@ -57,11 +57,11 @@ namespace OpenBabel
-
- static unsigned int bitsoff[SETWORD] =
- {
--
0x,0xFFFE,0xFFFC,0xFFF8,0xFFF0,0xFFE0,0xFFC0,
--
0xFF80,0xFF00,0xFE00,0xFC00,0xF800,0xF000,0xE000,
--
0xC000,0x8000,0x,0xFFFE,0xFFFC,0xFFF8,0xFFF0,
--
0xFFE0,0xFFC0,0xFF80,0xFF00,0xFE00,0xFC00,0xF800,
-- 0xF000,0xE000,0xC000,0x8000
-+
(int)0x,(int)0xFFFE,(int)0xFFFC,(int)0xFFF8,(int)0xFFF0,(int)0xFFE0,(int)0xFFC0,
-+
(int)0xFF80,(int)0xFF00,(int)0xFE00,(int)0xFC00,(int)0xF800,(int)0xF000,(int)0xE000,
-+
(int)0xC000,(int)0x8000,(int)0x,(int)0xFFFE,(int)0xFFFC,(int)0xFFF8,(int)0xFFF0,
-+
(int)0xFFE0,(int)0xFFC0,(int)0xFF80,(int)0xFF00,(int)0xFE00,(int)0xFC00,(int)0xF800,
-+ (int)0xF000,(int)0xE000,(int)0xC000,(int)0x8000
- };
-
- #ifndef LowBit
--- openbabel-2.3.2/src/formats/tinkerformat.cpp 2012-10-03
21:08:14.0 +0200
+++ openbabel-2.3.2/src/formats/tinkerformat.cpp 2016-06-17
10:54:22.648746512 +0200
@@ -483,6 +483,9 @@
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2016-06-19 10:50:23
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is "openbabel"
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2015-06-23
11:58:16.0 +0200
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2016-06-19
10:50:25.0 +0200
@@ -1,0 +2,19 @@
+Fri Jun 17 09:02:52 UTC 2016 - martin.li...@suse.com
+
+- Fix errors seen by 02-check-gcc-output script.
+
+---
+Thu Jun 16 14:39:01 UTC 2016 - tchva...@suse.com
+
+- Version update to 2.3.2 and cripple the tarball
+ * various small bugfixes, the git is far away from this but
+upstream seems not to do releases
+ * Add patch to properly install bindings to right location:
++ python-installdir.patch
+
+---
+Thu Jun 16 13:00:32 UTC 2016 - mli...@suse.cz
+
+- Add patch to build with gcc6 openbabel-gcc6.patch
+
+---
Old:
openbabel-2.3.1-crippled.tar.bz2
New:
openbabel-2.3.2-crippled.tar.bz2
openbabel-gcc6.patch
python-installdir.patch
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.oFqA1I/_old 2016-06-19 10:50:27.0 +0200
+++ /var/tmp/diff_new_pack.oFqA1I/_new 2016-06-19 10:50:27.0 +0200
@@ -1,7 +1,7 @@
#
# spec file for package openbabel
#
-# Copyright (c) 2015 SUSE LINUX GmbH, Nuernberg, Germany.
+# Copyright (c) 2016 SUSE LINUX GmbH, Nuernberg, Germany.
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -17,7 +17,7 @@
Name: openbabel
-Version:2.3.1
+Version:2.3.2
Release:0
Summary:Open Babel - The Open Source Chemistry Toolbox
License:GPL-2.0
@@ -30,10 +30,14 @@
Patch0: openbabel-2.3.1-no-build-date.patch
# PATCH-FIX-UPSTREAM openbabel-gcc5.patch dims...@opensuse.org -- Fix build
with GCC5, taken from git
Patch1: openbabel-gcc5.patch
+# PATCH-FIX-UPSTREAM openbabel-gcc6.patch mli...@suse.cz -- Fix build with GCC6
+Patch2: openbabel-gcc6.patch
+# PATCH-MERGED-UPSTREAM python-installdir.patch tchva...@suse.com -- Fix
bindings install dir
+Patch3: python-installdir.patch
BuildRequires: cmake
BuildRequires: gcc-c++
BuildRequires: libeigen2-devel
-BuildRequires: pkg-config
+BuildRequires: pkgconfig
BuildRequires: python-devel
BuildRequires: swig
BuildRequires: zlib-devel
@@ -84,25 +88,23 @@
%setup -q
%patch0
%patch1 -p1
+%patch2 -p1
+%patch3 -p1
%build
-%define libsuffix ""
-%if "%{_lib}" == "lib64"
-%define libsuffix 64
-%endif
-cmake -DCMAKE_INSTALL_PREFIX=%{_prefix} -DLIB_SUFFIX=%libsuffix
-DPYTHON_BINDINGS=ON -DCMAKE_SKIP_INSTALL_RPATH=ON
+export CXXFLAGS="%{optflags} -std=gnu++98 -fno-strict-aliasing"
+%cmake \
+-DPYTHON_BINDINGS=ON \
+-DRUN_SWIG=ON \
+-DOPTIMIZE_NATIVE=OFF
make %{?_smp_mflags}
%install
-make DESTDIR=%{buildroot} install
+%cmake_install
%post -n libopenbabel4 -p /sbin/ldconfig
-
%postun -n libopenbabel4 -p /sbin/ldconfig
-%clean
-rm -rf %{buildroot}
-
%files
%defattr(-,root,root,-)
%{_libdir}/openbabel
++ openbabel-2.3.1-crippled.tar.bz2 -> openbabel-2.3.2-crippled.tar.bz2
++
/work/SRC/openSUSE:Factory/openbabel/openbabel-2.3.1-crippled.tar.bz2
/work/SRC/openSUSE:Factory/.openbabel.new/openbabel-2.3.2-crippled.tar.bz2
differ: char 11, line 1
++ openbabel-gcc6.patch ++
Index: openbabel-2.3.2/src/bitvec.cpp
===
--- openbabel-2.3.2.orig/src/bitvec.cpp
+++ openbabel-2.3.2/src/bitvec.cpp
@@ -57,11 +57,11 @@ namespace OpenBabel
static unsigned int bitsoff[SETWORD] =
{
-
0x,0xFFFE,0xFFFC,0xFFF8,0xFFF0,0xFFE0,0xFFC0,
-
0xFF80,0xFF00,0xFE00,0xFC00,0xF800,0xF000,0xE000,
-
0xC000,0x8000,0x,0xFFFE,0xFFFC,0xFFF8,0xFFF0,
-
0xFFE0,0xFFC0,0xFF80,0xFF00,0xFE00,0xFC00,0xF800,
- 0xF000,0xE000,0xC000,0x8000
+
(int)0x,(int)0xFFFE,(int)0xFFFC,(int)0xFFF8,(int)0xFFF0,(int)0xFFE0,(int)0xFFC0,
+
(int)0xFF80,(int)0xFF00,(int)0xFE00,(int)0xFC00,(int)0xF800,(int)0xF000,(int)0xE000,
+
commit openbabel for openSUSE:Factory
Hello community, here is the log from the commit of package openbabel for openSUSE:Factory checked in at 2015-06-23 11:58:15 Comparing /work/SRC/openSUSE:Factory/openbabel (Old) and /work/SRC/openSUSE:Factory/.openbabel.new (New) Package is openbabel Changes: --- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2013-08-06 07:04:44.0 +0200 +++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2015-06-23 11:58:16.0 +0200 @@ -1,0 +2,5 @@ +Fri Jun 19 12:02:45 UTC 2015 - dims...@opensuse.org + +- Add openbabel-gcc5.patch: Fix build with gcc5. + +--- New: openbabel-gcc5.patch Other differences: -- ++ openbabel.spec ++ --- /var/tmp/diff_new_pack.gwEMHC/_old 2015-06-23 11:58:16.0 +0200 +++ /var/tmp/diff_new_pack.gwEMHC/_new 2015-06-23 11:58:16.0 +0200 @@ -1,7 +1,7 @@ # # spec file for package openbabel # -# Copyright (c) 2013 SUSE LINUX Products GmbH, Nuernberg, Germany. +# Copyright (c) 2015 SUSE LINUX GmbH, Nuernberg, Germany. # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed @@ -28,6 +28,8 @@ Source99: cripple_source.sh # PATCH-FIX-OPENSUSE -- No build date Patch0: openbabel-2.3.1-no-build-date.patch +# PATCH-FIX-UPSTREAM openbabel-gcc5.patch dims...@opensuse.org -- Fix build with GCC5, taken from git +Patch1: openbabel-gcc5.patch BuildRequires: cmake BuildRequires: gcc-c++ BuildRequires: libeigen2-devel @@ -81,6 +83,7 @@ %prep %setup -q %patch0 +%patch1 -p1 %build %define libsuffix ++ openbabel-gcc5.patch ++ From 04d0fe305c28965cafb252945d4afd23c2b98468 Mon Sep 17 00:00:00 2001 From: David Hall da...@acpharis.com Date: Thu, 12 Feb 2015 08:46:21 -0500 Subject: [PATCH] GCC5 patch from fedora packager --- include/openbabel/shared_ptr.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) Index: openbabel-2.3.1/include/openbabel/shared_ptr.h === --- openbabel-2.3.1.orig/include/openbabel/shared_ptr.h +++ openbabel-2.3.1/include/openbabel/shared_ptr.h @@ -21,7 +21,7 @@ GNU General Public License for more deta #define shared_ptr boost::shared_ptr #else #include memory - #if __GNUC__ == 4 // __GNUC_MINOR__ 3 removed at the suggestion of Konstantin Tokarev + #if __GNUC__ = 4 // __GNUC_MINOR__ 3 removed at the suggestion of Konstantin Tokarev #include tr1/memory #endif using std::tr1::shared_ptr;
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2013-08-06 07:04:43
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is openbabel
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2012-11-28
11:41:49.0 +0100
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2013-08-06
07:04:44.0 +0200
@@ -1,0 +2,6 @@
+Mon Aug 5 18:04:00 UTC 2013 - hrvoje.sen...@gmail.com
+
+- enable CMAKE_SKIP_INSTALL_RPATH option so RPATH is ommited from
+ install tree
+
+---
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.il1EQP/_old 2013-08-06 07:04:45.0 +0200
+++ /var/tmp/diff_new_pack.il1EQP/_new 2013-08-06 07:04:45.0 +0200
@@ -1,7 +1,7 @@
#
# spec file for package openbabel
#
-# Copyright (c) 2012 SUSE LINUX Products GmbH, Nuernberg, Germany.
+# Copyright (c) 2013 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
@@ -87,7 +87,7 @@
%if %{_lib} == lib64
%define libsuffix 64
%endif
-cmake -DCMAKE_INSTALL_PREFIX=%{_prefix} -DLIB_SUFFIX=%libsuffix
-DPYTHON_BINDINGS=ON
+cmake -DCMAKE_INSTALL_PREFIX=%{_prefix} -DLIB_SUFFIX=%libsuffix
-DPYTHON_BINDINGS=ON -DCMAKE_SKIP_INSTALL_RPATH=ON
make %{?_smp_mflags}
%install
--
To unsubscribe, e-mail: opensuse-commit+unsubscr...@opensuse.org
For additional commands, e-mail: opensuse-commit+h...@opensuse.org
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2012-11-28 11:41:47
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is openbabel, Maintainer is kde-maintain...@suse.de
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2012-05-09
18:32:26.0 +0200
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2012-11-28
11:41:49.0 +0100
@@ -1,0 +2,5 @@
+Tue Nov 20 17:23:54 UTC 2012 - nico.kru...@gmail.com
+
+- Fix the SLES build (%make_install is not expanded on SLES)
+
+---
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.zdITzW/_old 2012-11-28 11:41:50.0 +0100
+++ /var/tmp/diff_new_pack.zdITzW/_new 2012-11-28 11:41:50.0 +0100
@@ -91,7 +91,7 @@
make %{?_smp_mflags}
%install
-%makeinstall
+make DESTDIR=%{buildroot} install
%post -n libopenbabel4 -p /sbin/ldconfig
--
To unsubscribe, e-mail: opensuse-commit+unsubscr...@opensuse.org
For additional commands, e-mail: opensuse-commit+h...@opensuse.org
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2012-05-09 18:19:04
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is openbabel, Maintainer is kde-maintain...@suse.de
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2012-03-26
14:01:41.0 +0200
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2012-05-09
18:32:26.0 +0200
@@ -1,0 +2,5 @@
+Thu Apr 5 08:13:07 UTC 2012 - co...@suse.com
+
+- add -32bit libs for avogadro
+
+---
New:
baselibs.conf
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.nrZ53m/_old 2012-05-09 18:32:27.0 +0200
+++ /var/tmp/diff_new_pack.nrZ53m/_new 2012-05-09 18:32:27.0 +0200
@@ -24,6 +24,7 @@
Group: Development/Libraries/C and C++
Url:http://openbabel.sourceforge.net/
Source: %{name}-%{version}-crippled.tar.bz2
+Source1:baselibs.conf
Source99: cripple_source.sh
# PATCH-FIX-OPENSUSE -- No build date
Patch0: openbabel-2.3.1-no-build-date.patch
++ baselibs.conf ++
libopenbabel4
--
To unsubscribe, e-mail: opensuse-commit+unsubscr...@opensuse.org
For additional commands, e-mail: opensuse-commit+h...@opensuse.org
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2012-03-26 14:01:39
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is openbabel, Maintainer is kde-maintain...@suse.de
Changes:
--- /work/SRC/openSUSE:Factory/openbabel/openbabel.changes 2011-12-02
09:27:47.0 +0100
+++ /work/SRC/openSUSE:Factory/.openbabel.new/openbabel.changes 2012-03-26
14:01:41.0 +0200
@@ -1,0 +2,5 @@
+Fri Mar 23 20:02:36 UTC 2012 - dh...@wustl.edu
+
+- Add python bindings
+
+---
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.I2rLcX/_old 2012-03-26 14:01:43.0 +0200
+++ /var/tmp/diff_new_pack.I2rLcX/_new 2012-03-26 14:01:43.0 +0200
@@ -1,7 +1,7 @@
#
# spec file for package openbabel
#
-# Copyright (c) 2011 SUSE LINUX Products GmbH, Nuernberg, Germany.
+# Copyright (c) 2012 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
@@ -16,14 +16,13 @@
#
-
Name: openbabel
Version:2.3.1
-Release:1
-License:GPL-2.0
+Release:0
Summary:Open Babel - The Open Source Chemistry Toolbox
-Url:http://openbabel.sourceforge.net/
+License:GPL-2.0
Group: Development/Libraries/C and C++
+Url:http://openbabel.sourceforge.net/
Source: %{name}-%{version}-crippled.tar.bz2
Source99: cripple_source.sh
# PATCH-FIX-OPENSUSE -- No build date
@@ -32,6 +31,7 @@
BuildRequires: gcc-c++
BuildRequires: libeigen2-devel
BuildRequires: pkg-config
+BuildRequires: python-devel
BuildRequires: swig
BuildRequires: zlib-devel
BuildRequires: pkgconfig(cairo)
@@ -45,7 +45,6 @@
chemistry, solid-state materials, biochemistry, or related areas.
%package -n libopenbabel4
-License:GPL-2.0
Summary:Open Babel - The Open Source Chemistry Toolbox
Group: Development/Libraries/C and C++
@@ -56,7 +55,6 @@
chemistry, solid-state materials, biochemistry, or related areas.
%package -n libopenbabel-devel
-License:GPL-2.0
Summary:Open Babel - The Open Source Chemistry Toolbox
Group: Development/Libraries/C and C++
Requires: libopenbabel4 = %{version}
@@ -68,6 +66,17 @@
to search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas.
+%package -n python-openbabel
+Summary:Open Babel - The Open Source Chemistry Toolbox
+Group: Productivity/Scientific/Chemistry
+%py_requires
+
+%description -n python-openbabel
+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,
+chemistry, solid-state materials, biochemistry, or related areas.
+
%prep
%setup -q
%patch0
@@ -77,7 +86,7 @@
%if %{_lib} == lib64
%define libsuffix 64
%endif
-cmake -DCMAKE_INSTALL_PREFIX=%{_prefix} -DLIB_SUFFIX=%libsuffix
+cmake -DCMAKE_INSTALL_PREFIX=%{_prefix} -DLIB_SUFFIX=%libsuffix
-DPYTHON_BINDINGS=ON
make %{?_smp_mflags}
%install
@@ -113,4 +122,8 @@
%{_includedir}/openbabel-2.0/openbabel/
%{_libdir}/*.so
+%files -n python-openbabel
+%defattr(-,root,root,-)
+%{python_sitearch}*
+
%changelog
--
To unsubscribe, e-mail: opensuse-commit+unsubscr...@opensuse.org
For additional commands, e-mail: opensuse-commit+h...@opensuse.org
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at 2011-12-06 18:33:47
Comparing /work/SRC/openSUSE:Factory/openbabel (Old)
and /work/SRC/openSUSE:Factory/.openbabel.new (New)
Package is openbabel, Maintainer is kde-maintain...@suse.de
Changes:
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.4O5l1m/_old 2011-12-06 18:55:13.0 +0100
+++ /var/tmp/diff_new_pack.4O5l1m/_new 2011-12-06 18:55:13.0 +0100
@@ -20,7 +20,7 @@
Name: openbabel
Version:2.3.1
Release:1
-License:GPLv2
+License:GPL-2.0
Summary:Open Babel - The Open Source Chemistry Toolbox
Url:http://openbabel.sourceforge.net/
Group: Development/Libraries/C and C++
@@ -45,7 +45,7 @@
chemistry, solid-state materials, biochemistry, or related areas.
%package -n libopenbabel4
-License:GPLv2
+License:GPL-2.0
Summary:Open Babel - The Open Source Chemistry Toolbox
Group: Development/Libraries/C and C++
@@ -56,7 +56,7 @@
chemistry, solid-state materials, biochemistry, or related areas.
%package -n libopenbabel-devel
-License:GPLv2
+License:GPL-2.0
Summary:Open Babel - The Open Source Chemistry Toolbox
Group: Development/Libraries/C and C++
Requires: libopenbabel4 = %{version}
--
To unsubscribe, e-mail: opensuse-commit+unsubscr...@opensuse.org
For additional commands, e-mail: opensuse-commit+h...@opensuse.org
commit openbabel for openSUSE:Factory
Hello community,
here is the log from the commit of package openbabel for openSUSE:Factory
checked in at Tue Oct 18 14:24:05 CEST 2011.
--- openSUSE:Factory/openbabel/openbabel.changes2011-09-23
02:15:11.0 +0200
+++ /mounts/work_src_done/STABLE/openbabel/openbabel.changes2011-10-18
02:20:36.0 +0200
@@ -1,0 +2,38 @@
+Tue Oct 18 00:17:21 UTC 2011 - dh...@wustl.edu
+
+- updated to OpenBabel 2.3.1
+ * Better support for unknown stereochemistry, including a wobbly bond in
2D depiction.
+ * Many fixes for rare bugs with stereochemical conversions, including
unusual valences.
+ * Significantly improved 2D depiction code, improving performance and
cis/trans stereochemical accuracy
+ * Added support for direct 2D depiction to PNG files using the Cairo
library, if available.
+ * PNG files from Open Babel contain molecular information and can be read to
give the MDL Molfile.
+ * SVG files with 2D depiction can now include a grid of molecules with
embedded JavaScript to zoom and scroll.
+ * Molecular formulas now include the total charge (e.g., HCO2-)
+ * Added the EEM partial charge model from Bultinck, et. al.
+ * Fixed problems with FastSearch databases larger than 4GB, now checking for
large files.
+ * Improved performance with force field minimization, particularly the UFF
and GAFF methods.
+ * Several MMFF94 atom typing bugs fixed.
+ * Updated GAFF parameters from the AmberTools distribution.
+ * Improvements in 3D coordinate generation, particularly more accurate sp3
bond angles
+ * Fixed tests for auto-typing molecules with force fields when running
through different isomers.
+ * Improvements in scripting bindings, particularly Python, Ruby, and Java
+ * Pybel now uses the built-in 2D depiction, and no longer needs OASA.
+ * Added initial support for MM3 atom typing with the Tinker package
+ * Significant bug fixes for the PDBQT format.
+ * Reading FASTA files can now generate 3D coordinates for single-stranded
DNA in addition to the default double-strand.
+ * Support for reading/writing unit cell information from MOPAC files.
+ * Support for re-numbering SMILES by specifying the first and last atoms
with -xf and -xl flags.
+ * Better support for InChI - InChI key generation by direct conversion,
rather than re-perception of the InChI.
+ * Fix for rare stack overflow crash in SMARTS perception.
+ * Improved UNIX man pages.
+ * Many bug fixes and small enhancements
+ * New File Formats
+* Import and Export:
+ * Gromacs GRO
+* Import:
+ * ABINIT
+ * XCrySDen XSF
+* Export:
+ * InChI Key
+
+---
calling whatdependson for head-i586
Old:
openbabel-2.3.0-crippled.tar.bz2
openbabel-2.3.0-no-build-date.patch
New:
openbabel-2.3.1-crippled.tar.bz2
openbabel-2.3.1-no-build-date.patch
Other differences:
--
++ openbabel.spec ++
--- /var/tmp/diff_new_pack.QSV5u6/_old 2011-10-18 14:24:01.0 +0200
+++ /var/tmp/diff_new_pack.QSV5u6/_new 2011-10-18 14:24:01.0 +0200
@@ -18,17 +18,25 @@
Name: openbabel
-Version:2.3.0
+Version:2.3.1
Release:1
License:GPLv2
-BuildRoot: %{_tmppath}/%{name}-%{version}-build
-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
+Group: Development/Libraries/C and C++
+Source: %{name}-%{version}-crippled.tar.bz2
Source99: cripple_source.sh
-Patch0: openbabel-2.3.0-no-build-date.patch
+# PATCH-FIX-OPENSUSE -- No build date
+Patch0: openbabel-2.3.1-no-build-date.patch
+BuildRequires: cmake
+BuildRequires: gcc-c++
+BuildRequires: libeigen2-devel
+BuildRequires: pkg-config
+BuildRequires: swig
+BuildRequires: zlib-devel
+BuildRequires: pkgconfig(cairo)
+BuildRequires: pkgconfig(libxml-2.0)
+BuildRoot: %{_tmppath}/%{name}-%{version}-build
%description
Open Babel is a chemical toolbox designed to speak the many languages
@@ -36,14 +44,6 @@
to search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas.
-
-
-Authors:
-
-Michael Banck
-Geoff Hutchison
-Chris Morley
-
%package -n libopenbabel4
License:GPLv2
Summary:Open Babel - The Open Source Chemistry Toolbox
@@ -55,19 +55,11 @@
to search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas.
-
-
-Authors:
-
-Michael Banck
-Geoff Hutchison
-Chris Morley
-
%package -n libopenbabel-devel
License:GPLv2
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 02:57:23.0 +0200
+++ /mounts/work_src_done/STABLE/openbabel/openbabel.changes2011-06-24
12:51:29.0 +0200
@@ -1,0 +2,36 @@
+Sat Jun 18 10:52:25 UTC 2011 - dh...@wustl.edu
+
+- use rpm %ifarch
+
+---
+Fri Jun 17 23:55:56 UTC 2011 - dh...@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 10:56:55.0 +0200
+++ /var/tmp/diff_new_pack.wxWaZg/_new 2011-06-27 10:56:56.0 +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}
