2006-08-09 22:11:43 +00:00
|
|
|
%define perl_vendorarch %(eval "`perl -V:installvendorarch`"; echo $installvendorarch)
|
|
|
|
%define perl_archlib %(eval "`perl -V:archlib`"; echo $archlib)
|
|
|
|
%{!?python_sitelib: %define python_sitelib %(%{__python} -c "from distutils.sysconfig import get_python_lib; print get_python_lib()")}
|
|
|
|
%{!?python_sitearch: %define python_sitearch %(%{__python} -c "from distutils.sysconfig import get_python_lib; print get_python_lib(1)")}
|
2008-02-23 20:02:14 +00:00
|
|
|
%define ruby_sitearch %(ruby -rrbconfig -e 'puts Config::CONFIG["sitearchdir"]')
|
|
|
|
|
2008-03-02 19:04:13 +00:00
|
|
|
%define beta_ver b4
|
|
|
|
%define beta_str b4-20080301-r2299
|
2006-08-09 22:11:43 +00:00
|
|
|
|
|
|
|
Name: openbabel
|
2008-02-23 20:02:14 +00:00
|
|
|
Version: 2.2.0
|
2008-05-08 14:43:26 +00:00
|
|
|
Release: 0.3.%{beta_ver}%{?dist}
|
2006-08-09 22:11:43 +00:00
|
|
|
Summary: Chemistry software file format converter
|
2007-08-17 00:43:02 +00:00
|
|
|
License: GPLv2
|
2006-08-09 22:11:43 +00:00
|
|
|
Group: Applications/File
|
|
|
|
URL: http://openbabel.sourceforge.net/
|
2008-02-23 20:02:14 +00:00
|
|
|
Source: http://dl.sourceforge.net/sourceforge/openbabel/%{name}-%{version}%{beta_str}.tar.gz
|
2008-01-06 18:05:17 +00:00
|
|
|
Patch: %{name}-gcc43.patch
|
2008-02-23 20:02:14 +00:00
|
|
|
Patch1: %{name}-rpm.patch
|
2006-08-09 22:11:43 +00:00
|
|
|
BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n)
|
2007-11-28 18:28:34 +00:00
|
|
|
BuildRequires: inchi-devel
|
2006-08-09 22:11:43 +00:00
|
|
|
BuildRequires: libtool
|
|
|
|
BuildRequires: libxml2-devel
|
2007-08-17 00:43:02 +00:00
|
|
|
BuildRequires: perl(ExtUtils::MakeMaker)
|
2006-09-20 07:10:51 +00:00
|
|
|
BuildRequires: python
|
|
|
|
BuildRequires: python-devel
|
2008-02-23 20:02:14 +00:00
|
|
|
BuildRequires: ruby
|
|
|
|
BuildRequires: ruby-devel
|
|
|
|
BuildRequires: swig
|
2007-03-29 22:06:55 +00:00
|
|
|
#TODO: enable when GUI is functional
|
|
|
|
#BuildRequires: wxGTK-devel
|
2006-08-09 22:11:43 +00:00
|
|
|
BuildRequires: zlib-devel
|
|
|
|
|
|
|
|
%description
|
|
|
|
Open Babel is a free, open-source version of the Babel chemistry file
|
|
|
|
translation program. Open Babel is a project designed to pick up where
|
|
|
|
Babel left off, as a cross-platform program and library designed to
|
|
|
|
interconvert between many file formats used in molecular modeling,
|
|
|
|
computational chemistry, and many related areas.
|
|
|
|
|
|
|
|
Open Babel includes two components, a command-line utility and a C++
|
|
|
|
library. The command-line utility is intended to be used as a replacement
|
|
|
|
for the original babel program, to translate between various chemical file
|
|
|
|
formats. The C++ library includes all of the file-translation code as well
|
|
|
|
as a wide variety of utilities to foster development of other open source
|
|
|
|
scientific software.
|
|
|
|
|
|
|
|
%package devel
|
|
|
|
Summary: Development tools for programs which will use the Open Babel library
|
|
|
|
Group: Development/Libraries
|
|
|
|
Requires: %{name} = %{version}-%{release}
|
|
|
|
Requires: pkgconfig
|
|
|
|
|
|
|
|
%description devel
|
|
|
|
The %{name}-devel package includes the header files and libraries
|
|
|
|
necessary for developing programs using the Open Babel library.
|
|
|
|
|
|
|
|
If you are going to develop programs which will use this library
|
|
|
|
you should install %{name}-devel. You'll also need to have the
|
|
|
|
%{name} package installed.
|
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
%package -n perl-%{name}
|
2006-08-09 22:11:43 +00:00
|
|
|
Group: System Environment/Libraries
|
|
|
|
Summary: Perl wrapper for the Open Babel library
|
2008-02-23 20:02:14 +00:00
|
|
|
Obsoletes: %{name}-perl < 2.2.0
|
|
|
|
Provides: %{name}-perl
|
2006-08-09 22:11:43 +00:00
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
%description -n perl-%{name}
|
2006-08-09 22:11:43 +00:00
|
|
|
Perl wrapper for the Open Babel library.
|
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
%package -n python-%{name}
|
2006-08-09 22:11:43 +00:00
|
|
|
Group: System Environment/Libraries
|
|
|
|
Summary: Python wrapper for the Open Babel library
|
2008-02-23 20:02:14 +00:00
|
|
|
Obsoletes: %{name}-python < 2.2.0
|
|
|
|
Provides: %{name}-python
|
2006-08-09 22:11:43 +00:00
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
%description -n python-%{name}
|
2006-08-09 22:11:43 +00:00
|
|
|
Python wrapper for the Open Babel library.
|
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
%package -n ruby-%{name}
|
|
|
|
Summary: Ruby wrapper for the Open Babel library
|
|
|
|
Group: Development/Libraries
|
|
|
|
Requires: ruby(abi) = 1.8
|
|
|
|
Requires: %{name} = %{version}-%{release}
|
|
|
|
|
|
|
|
%description -n ruby-%{name}
|
|
|
|
Ruby wrapper for the Open Babel library.
|
|
|
|
|
2006-08-09 22:11:43 +00:00
|
|
|
%prep
|
2008-03-02 19:04:13 +00:00
|
|
|
%setup -q -n %{name}-%{version}%{beta_ver}
|
2008-01-06 18:05:17 +00:00
|
|
|
%patch -p1 -b .gcc43
|
2008-02-23 20:02:14 +00:00
|
|
|
%patch1 -p1 -b .r
|
2006-08-09 22:11:43 +00:00
|
|
|
|
|
|
|
%build
|
2008-05-08 14:45:49 +00:00
|
|
|
%if 0%{?fedora} >= 9
|
2008-05-08 14:43:26 +00:00
|
|
|
%ifarch ppc64
|
|
|
|
export CFLAGS="$RPM_OPT_FLAGS -fno-inline-small-functions"
|
|
|
|
export CXXFLAGS="$RPM_OPT_FLAGS -fno-inline-small-functions"
|
|
|
|
%endif
|
2008-05-08 14:45:49 +00:00
|
|
|
%endif
|
2006-08-29 17:31:17 +00:00
|
|
|
autoreconf --force --install
|
2008-02-23 20:02:14 +00:00
|
|
|
%configure --enable-shared=yes --enable-static=no --enable-maintainer-mode
|
2006-08-09 22:11:43 +00:00
|
|
|
%{__make} %{?_smp_mflags}
|
|
|
|
|
|
|
|
pushd scripts/perl
|
|
|
|
perl Makefile.PL INSTALLDIRS="vendor"
|
2006-09-20 07:10:51 +00:00
|
|
|
%{__make} %{?_smp_mflags} OPTIMIZE="$RPM_OPT_FLAGS"
|
2006-08-09 22:11:43 +00:00
|
|
|
popd
|
|
|
|
|
|
|
|
pushd scripts/python
|
|
|
|
python setup.py build
|
|
|
|
popd
|
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
pushd scripts/ruby
|
|
|
|
%{__make} %{?_smp_mflags}
|
|
|
|
popd
|
|
|
|
|
2006-08-09 22:11:43 +00:00
|
|
|
%install
|
|
|
|
%{__rm} -rf $RPM_BUILD_ROOT
|
|
|
|
|
|
|
|
%{__make} install DESTDIR=$RPM_BUILD_ROOT
|
|
|
|
|
2007-03-29 22:06:55 +00:00
|
|
|
%{__rm} $RPM_BUILD_ROOT%{_libdir}{,/%{name}}/*.la
|
2006-08-09 22:11:43 +00:00
|
|
|
|
|
|
|
pushd scripts/perl
|
|
|
|
%{__make} install DESTDIR=$RPM_BUILD_ROOT
|
|
|
|
popd
|
|
|
|
%{__rm} -f $RPM_BUILD_ROOT%{perl_archlib}/perllocal.pod
|
|
|
|
%{__rm} -f $RPM_BUILD_ROOT%{perl_vendorarch}/*/Chemistry/OpenBabel/{.packlist,OpenBabel.bs}
|
2006-12-18 21:34:19 +00:00
|
|
|
chmod 755 $RPM_BUILD_ROOT%{perl_vendorarch}/*/Chemistry/OpenBabel/OpenBabel.so
|
2006-09-20 07:10:51 +00:00
|
|
|
|
2006-08-09 22:11:43 +00:00
|
|
|
pushd scripts/python
|
2006-09-20 07:10:51 +00:00
|
|
|
%{__python} setup.py install --skip-build --root $RPM_BUILD_ROOT
|
2006-08-09 22:11:43 +00:00
|
|
|
%{__python} setup.py install -O1 --skip-build --root $RPM_BUILD_ROOT
|
|
|
|
popd
|
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
pushd scripts/ruby
|
|
|
|
%{__make} install DESTDIR=$RPM_BUILD_ROOT
|
|
|
|
popd
|
|
|
|
|
2007-04-17 17:01:33 +00:00
|
|
|
# work around testsuite crash
|
2007-11-28 18:29:53 +00:00
|
|
|
%{__rm} src/formats/.libs/*.soT
|
2007-04-17 17:01:33 +00:00
|
|
|
|
2006-08-09 22:11:43 +00:00
|
|
|
%clean
|
|
|
|
%{__rm} -rf $RPM_BUILD_ROOT
|
|
|
|
|
2007-03-18 18:02:40 +00:00
|
|
|
%check
|
|
|
|
%{__make} check
|
|
|
|
|
2006-08-09 22:11:43 +00:00
|
|
|
%post -p /sbin/ldconfig
|
|
|
|
|
|
|
|
%postun -p /sbin/ldconfig
|
|
|
|
|
|
|
|
%files
|
|
|
|
%defattr(-,root,root,-)
|
|
|
|
%doc AUTHORS COPYING ChangeLog README THANKS
|
|
|
|
%doc doc/*.html
|
|
|
|
%doc doc/README* doc/babel*.inc doc/dioxin.*
|
|
|
|
%{_bindir}/*
|
|
|
|
%{_mandir}/man1/*
|
|
|
|
%{_datadir}/%{name}
|
|
|
|
%{_libdir}/libopenbabel.so.*
|
|
|
|
%{_libdir}/%{name}
|
|
|
|
|
|
|
|
%files devel
|
|
|
|
%defattr(-,root,root,-)
|
|
|
|
%{_includedir}/%{name}-2.0
|
|
|
|
%{_libdir}/libopenbabel.so
|
|
|
|
%{_libdir}/pkgconfig/*.pc
|
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
%files -n perl-%{name}
|
2006-08-09 22:11:43 +00:00
|
|
|
%defattr(-,root,root,-)
|
|
|
|
%{perl_vendorarch}/Chemistry/OpenBabel.pm
|
|
|
|
%dir %{perl_vendorarch}/*/Chemistry/OpenBabel
|
|
|
|
%{perl_vendorarch}/*/Chemistry/OpenBabel/OpenBabel.so
|
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
%files -n python-%{name}
|
2006-08-09 22:11:43 +00:00
|
|
|
%defattr(-,root,root,-)
|
|
|
|
%{python_sitearch}/_openbabel.so
|
2006-09-20 07:10:51 +00:00
|
|
|
%{python_sitearch}/openbabel.py*
|
2006-12-18 21:34:19 +00:00
|
|
|
%{python_sitearch}/pybel.py*
|
2008-01-06 21:17:13 +00:00
|
|
|
%{python_sitearch}/openbabel*.egg-info
|
2006-08-09 22:11:43 +00:00
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
%files -n ruby-%{name}
|
|
|
|
%defattr(-, root, root, -)
|
|
|
|
%{ruby_sitearch}/openbabel.so
|
|
|
|
|
2006-08-09 22:11:43 +00:00
|
|
|
%changelog
|
2008-05-08 14:43:26 +00:00
|
|
|
* Thu May 08 2008 Kevin Kofler <Kevin@tigcc.ticalc.org> 2.2.0-0.3.b4
|
2008-05-08 14:45:49 +00:00
|
|
|
- add -fno-inline-small-functions to optflags on F9+ ppc64 (#427700)
|
2008-05-08 14:43:26 +00:00
|
|
|
|
2008-03-02 19:04:13 +00:00
|
|
|
* Sun Mar 02 2008 Dominik Mierzejewski <rpm@greysector.net> 2.2.0-0.2.b4
|
|
|
|
- updated to 2.2.0 beta4
|
|
|
|
- enable CML tests again (fixed upstream)
|
|
|
|
|
2008-02-23 20:02:14 +00:00
|
|
|
* Fri Feb 22 2008 Dominik Mierzejewski <rpm@greysector.net> 2.2.0-0.1.b3
|
|
|
|
- updated to 2.2.0 beta3
|
|
|
|
- renamed language bindings subpackages
|
|
|
|
- added ruby bindings
|
|
|
|
- fixed ruby buildings build with local shared lib
|
|
|
|
- disable CML tests (broken upstream)
|
|
|
|
|
2008-01-07 22:20:36 +00:00
|
|
|
* Mon Jan 07 2008 Dominik Mierzejewski <rpm@greysector.net> 2.1.1-4
|
|
|
|
- work around gcc bug: http://gcc.gnu.org/PR34708
|
|
|
|
|
2008-01-06 18:05:17 +00:00
|
|
|
* Sun Jan 06 2008 Dominik Mierzejewski <rpm@greysector.net> 2.1.1-3
|
|
|
|
- fix build with gcc-4.3
|
2008-01-06 21:17:13 +00:00
|
|
|
- include python egg-info
|
2008-01-06 18:05:17 +00:00
|
|
|
|
2007-11-28 18:28:34 +00:00
|
|
|
* Wed Nov 28 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.1-2
|
|
|
|
- build against external inchi
|
|
|
|
|
2007-08-17 00:43:02 +00:00
|
|
|
* Fri Aug 17 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.1-1
|
|
|
|
- updated to 2.1.1
|
|
|
|
- better work around for testsuite crash
|
|
|
|
- updated the License tag according to the new guidelines
|
|
|
|
|
2007-04-17 17:01:33 +00:00
|
|
|
* Tue Apr 17 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.0-2
|
|
|
|
- work around testsuite crash
|
|
|
|
|
2007-04-15 23:59:14 +00:00
|
|
|
* Mon Apr 16 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.0-1
|
|
|
|
- updated to 2.1.0 final
|
|
|
|
|
2007-03-29 22:06:55 +00:00
|
|
|
* Thu Mar 29 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.0-0.3.b8
|
|
|
|
- updated to beta8
|
|
|
|
- dropped upstream'd patch
|
|
|
|
|
2007-03-18 18:02:40 +00:00
|
|
|
* Sun Mar 18 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.0-0.2.b6
|
|
|
|
- updated to beta6
|
|
|
|
- dropped upstream'd patch
|
|
|
|
- fixed my name in ChangeLog
|
|
|
|
- copied inchi header for inchi-devel (TODO: make inchi a separate package)
|
|
|
|
- added %%check
|
|
|
|
|
2006-12-18 21:34:19 +00:00
|
|
|
* Sun Dec 17 2006 Dominik Mierzejewski <rpm@greysector.net> 2.1.0-0.1.b4
|
|
|
|
- update to 2.1.0b4 to fix building with new python
|
|
|
|
- dropped obsolete patch
|
|
|
|
- ensure proper inchi versioning
|
|
|
|
|
2006-10-03 22:00:40 +00:00
|
|
|
* Tue Oct 03 2006 Dominik Mierzejewski <rpm@greysector.net> 2.0.2-5
|
|
|
|
- rebuilt for unwind info generation, broken in gcc-4.1.1-21
|
|
|
|
|
2006-09-20 07:10:51 +00:00
|
|
|
* Wed Sep 20 2006 Dominik Mierzejewski <rpm@greysector.net> 2.0.2-4
|
|
|
|
- .pyo files no longer ghosted
|
|
|
|
- fix chicken-and-egg problem when building perl and python bindings
|
|
|
|
|
2006-08-29 17:31:17 +00:00
|
|
|
* Tue Aug 29 2006 Dominik Mierzejewski <rpm@greysector.net> 2.0.2-3
|
|
|
|
- simplified autotools invocation
|
|
|
|
- mass rebuild
|
|
|
|
|
2006-08-09 22:11:43 +00:00
|
|
|
* Mon Aug 07 2006 Dominik Mierzejewski <rpm@greysector.net> 2.0.2-2
|
|
|
|
- simplified file lists and permissions
|
|
|
|
- removed weird character from inchi summary and description
|
|
|
|
- added missing pkgconfig Req: for -devel
|
|
|
|
|
|
|
|
* Sat Aug 05 2006 Dominik Mierzejewski <rpm@greysector.net> 2.0.2-1
|
|
|
|
- updated to 2.0.2
|
|
|
|
- dropped GCC4 fix (upstream'd)
|
|
|
|
- split off inchi package
|
|
|
|
- added python and perl bindings packages
|
|
|
|
|
|
|
|
* Sat Jan 07 2006 Dominik Mierzejewski <rpm@greysector.net> 2.0.0-1
|
|
|
|
- updated to 2.0.0
|
|
|
|
- fix compilation with GCC4
|
|
|
|
- FE compliance
|
|
|
|
|
|
|
|
* Thu Feb 10 2005 Dominik Mierzejewski <rpm@greysector.net> 1.100.2-1
|
|
|
|
- rebuilt for Fedora 3
|
|
|
|
|
|
|
|
* Tue Jan 18 2005 ALT QA Team Robot <qa-robot@altlinux.org> 1.100.2-alt1.1
|
|
|
|
- Rebuilt with libstdc++.so.6.
|
|
|
|
|
|
|
|
* Wed Mar 03 2004 Michael Shigorin <mike@altlinux.ru> 1.100.2-alt1
|
|
|
|
- 1.100.2
|
|
|
|
|
|
|
|
* Wed Dec 17 2003 Michael Shigorin <mike@altlinux.ru> 1.100.1-alt2
|
|
|
|
- removed *.la
|
|
|
|
- don't package static library by default
|
|
|
|
|
|
|
|
* Mon Sep 22 2003 Michael Shigorin <mike@altlinux.ru> 1.100.1-alt1
|
|
|
|
- 1.100.1
|
|
|
|
- #2994 fixed; thanks to Alex Ott (ott@) for a pointer
|
|
|
|
- spec cleanup (underlibification fixup)
|
|
|
|
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* Mon Jun 30 2003 Michael Shigorin <mike@altlinux.ru> 1.100.0-alt1
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- built for ALT Linux
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- based on Mandrake Cooker spec by:
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* Lenny Cartier <lenny@mandrakesoft.com>
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* Austin Acton <aacton@yorku.ca>
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- spec cleanup
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