%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)")}

%define ruby_sitearch %(ruby -rrbconfig -e 'puts Config::CONFIG["sitearchdir"]')

%define beta_ver %{nil}

%define beta_str %{nil}

Name: openbabel

Version: 2.2.3

Release: 2%{beta_ver}%{?dist}

Summary: Chemistry software file format converter

License: GPLv2

Group: Applications/File

URL: http://openbabel.org/

Source: http://downloads.sourceforge.net/sourceforge/openbabel/%{name}-%{version}%{beta_str}.tar.gz

Patch1: %{name}-rpm.patch

Patch3: %{name}-inchi.patch

BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n)

BuildRequires: inchi-devel

BuildRequires: libtool

BuildRequires: libxml2-devel

BuildRequires: perl(ExtUtils::MakeMaker)

BuildRequires: python

BuildRequires: python-devel

BuildRequires: ruby

BuildRequires: ruby-devel

BuildRequires: swig

#TODO: enable when GUI is functional

#BuildRequires: wxGTK-devel

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.

%package -n perl-%{name}

Group: System Environment/Libraries

Summary: Perl wrapper for the Open Babel library

Requires: perl(:MODULE_COMPAT_%(eval "`%{__perl} -V:version`"; echo $version))

Obsoletes: %{name}-perl < 2.2.0

Provides: %{name}-perl = %{version}-%{release}

%description -n perl-%{name}

Perl wrapper for the Open Babel library.

%package -n python-%{name}

Group: System Environment/Libraries

Summary: Python wrapper for the Open Babel library

Obsoletes: %{name}-python < 2.2.0

Provides: %{name}-python = %{version}-%{release}

%description -n python-%{name}

Python wrapper for the Open Babel library.

%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.

%prep

%setup -q -n %{name}-%{version}%{beta_str}

%patch1 -p1 -b .r

%patch3 -p1 -b .inchi

chmod 644 src/formats/mmcifformat.cpp

%build

autoreconf --force --install

%configure --enable-shared=yes --enable-static=no --disable-inchi --enable-maintainer-mode

%{__make} %{?_smp_mflags}

pushd scripts/perl

perl Makefile.PL INSTALLDIRS="vendor"

%{__make} %{?_smp_mflags} OPTIMIZE="$RPM_OPT_FLAGS"

popd

pushd scripts/python

python setup.py build

popd

pushd scripts/ruby

ruby extconf.rb --with-openbabel-include=../../include --with-openbabel-lib=../../src/.libs

%{__make} %{?_smp_mflags}

popd

%install

%{__rm} -rf $RPM_BUILD_ROOT

%{__make} install DESTDIR=$RPM_BUILD_ROOT

%{__rm} $RPM_BUILD_ROOT%{_libdir}{,/%{name}/%{version}%{beta_ver}}/*.la

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}

chmod 755 $RPM_BUILD_ROOT%{perl_vendorarch}/*/Chemistry/OpenBabel/OpenBabel.so

pushd scripts/python

%{__python} setup.py install --skip-build --root $RPM_BUILD_ROOT

%{__python} setup.py install -O1 --skip-build --root $RPM_BUILD_ROOT

popd

chmod 755 $RPM_BUILD_ROOT%{python_sitearch}/_openbabel.so

pushd scripts/ruby

%{__make} install DESTDIR=$RPM_BUILD_ROOT

popd

%clean

%{__rm} -rf $RPM_BUILD_ROOT

%check

%{__make} check

%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

%files -n perl-%{name}

%defattr(-,root,root,-)

%{perl_vendorarch}/Chemistry/OpenBabel.pm

%dir %{perl_vendorarch}/*/Chemistry/OpenBabel

%{perl_vendorarch}/*/Chemistry/OpenBabel/OpenBabel.so

%files -n python-%{name}

%defattr(-,root,root,-)

%{python_sitearch}/_openbabel.so

%{python_sitearch}/openbabel.py*

%{python_sitearch}/pybel.py*

%{python_sitearch}/openbabel*.egg-info

%files -n ruby-%{name}

%defattr(-, root, root, -)

%{ruby_sitearch}/openbabel.so

%changelog

* Thu Apr 29 2010 Marcela Maslanova <mmaslano@redhat.com> - 2.2.3-2

- Mass rebuild with perl-5.12.0

* Wed Aug 26 2009 Dominik Mierzejewski <rpm@greysector.net> 2.2.3-1

- updated to 2.2.3

- dropped obsolete patch

- fixed configure to detect external inchi (both pre-1.0.2 and 1.0.2)

- re-enabled inchi tests

* Sat Jul 25 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.2.1-0.2.b3

- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild

* Sun Mar 01 2009 Dominik Mierzejewski <rpm@greysector.net> 2.2.1-0.1.b3

- update to 2.2.1 beta3

- drop some obsolete workarounds

* Thu Feb 26 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.2.0-3

- Rebuilt for https://fedoraproject.org/wiki/Fedora_11_Mass_Rebuild

* Sat Nov 29 2008 Ignacio Vazquez-Abrams <ivazqueznet+rpm@gmail.com> - 2.2.0-2

- Rebuild for Python 2.6

* Sun Jul 06 2008 Dominik Mierzejewski <rpm@greysector.net> 2.2.0-1

- updated to 2.2.0

- new URL

- dropped Python binding split patch (broken, reverted upstream)

- fixed testsuite and disabled inchi tests temporarily

- added strict perl version requirements (patch by Paul Howarth, bug #453120)

- fixed some rpmlint warnings

- merged a sed call into -rpm patch

* Fri Jun 06 2008 Kevin Kofler <Kevin@tigcc.ticalc.org> 2.2.0-0.5.b5

- backport upstream patch to split Python binding (should fix #427700 for good)

- drop no longer needed ppc64 SWIG/GCC flag hackery

* Thu May 29 2008 Kevin Kofler <Kevin@tigcc.ticalc.org> 2.2.0-0.4.b5

- update to 2.2.0 beta5

* Fri May 09 2008 Kevin Kofler <Kevin@tigcc.ticalc.org> 2.2.0-0.3.b4

- generate Python binding with -fastdispatch on F9+ ppc64 (#427700)

- add -mno-sum-in-toc to optflags on F9+ ppc64 (#427700)

* 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)

* 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)

* Mon Jan 07 2008 Dominik Mierzejewski <rpm@greysector.net> 2.1.1-4

- work around gcc bug: http://gcc.gnu.org/PR34708

* Sun Jan 06 2008 Dominik Mierzejewski <rpm@greysector.net> 2.1.1-3

- fix build with gcc-4.3

- include python egg-info

* Wed Nov 28 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.1-2

- build against external inchi

* 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

* Tue Apr 17 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.0-2

- work around testsuite crash

* Mon Apr 16 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.0-1

- updated to 2.1.0 final

* Thu Mar 29 2007 Dominik Mierzejewski <rpm@greysector.net> 2.1.0-0.3.b8

- updated to beta8

- dropped upstream'd patch

* 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

* 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

* 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

* 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

* Tue Aug 29 2006 Dominik Mierzejewski <rpm@greysector.net> 2.0.2-3

- simplified autotools invocation

- mass rebuild

* 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)

* Mon Jun 30 2003 Michael Shigorin <mike@altlinux.ru> 1.100.0-alt1

- built for ALT Linux

- based on Mandrake Cooker spec by:

  * Lenny Cartier <lenny@mandrakesoft.com>

  * Austin Acton <aacton@yorku.ca>

- spec cleanup