rpms
/
openbabel
2
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
openbabel/openbabel.spec

490 lines
16 KiB
RPMSpec
Raw Blame History

%global commit 75414ad4e043f16ba72ae51c7ca60f448576688d
%global shortcommit %(c=%{commit}; echo ${c:0:7})
%define perl_vendorarch %(eval "`perl -V:installvendorarch`"; echo $installvendorarch)
%{!?python2_sitearch: %define python2_sitearch %(%{__python} -c "from distutils.sysconfig import get_python_lib; print get_python_lib(1)")}
# we don't want to provide private Perl or Python extension libs
%global __provides_exclude_from ^(%{perl_vendorarch}/auto/.*\\.so|%{python2_sitearch}/.*\\.so)$
Name: openbabel
Version: 2.3.90
Release: 0.1.20150204git%{shortcommit}
Summary: Chemistry software file format converter
License: GPLv2
Group: Applications/File
URL: http://openbabel.org/
Source0: https://github.com/openbabel/openbabel/archive/%{commit}/openbabel-%{commit}.tar.gz
Source1: obgui.desktop
# fix perl modules install path
Patch1: %{name}-perl.patch
# fix plugin directory location (#680292, patch by lg)
Patch4: openbabel-plugindir.patch
# fix SWIG_init even when not using swig (#772149)
Patch6: openbabel-noswig-rubymethod.patch
# On F-17, directory for C ruby files changed to use vendorarch directory
Patch7: openbabel-ruby19-vendorarch.patch
# temporarily disable some tests on:
# - ppc64 and s390(x) to unblock other builds (#1108103)
# - ARM (#1094491)
# - aarch64 (#1094513)
# Upstream bugs: https://sourceforge.net/p/openbabel/bugs/927/ https://sourceforge.net/p/openbabel/bugs/945/
Patch8: openbabel-disable-tests-some-arches.patch
# Remove deprecated usage on ruby 22
Patch10: openbabel-ruby22-remove-deprecated-usage.patch
# Fix build with gcc5
Patch11: openbabel-gcc5.patch
# Fix build with swig-3.x
Patch12: openbabel-swig3.patch
BuildRoot: %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n)
BuildRequires: cmake
BuildRequires: desktop-file-utils
BuildRequires: eigen3-devel
BuildRequires: gcc-c++
BuildRequires: inchi-devel >= 1.0.3
BuildRequires: libxml2-devel
BuildRequires: swig
BuildRequires: wxGTK-devel
BuildRequires: ImageMagick
%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.
This package contains the command-line utility, which is intended to
be used as a replacement for the original babel program, to translate
between various chemical file formats 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}-libs%{?_isa} = %{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.
%package doc
Summary: Additional documentation for the Open Babel library
Group: Documentation
BuildArch: noarch
%description doc
This package contains additional documentation for Open Babel.
%package gui
Summary: Chemistry software file format converter - GUI version
Group: Applications/File
%description gui
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.
This package contains the graphical interface.
%package libs
Summary: Chemistry software file format converter - libraries
Group: System Environment/Libraries
%description libs
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.
This package contains the C++ library, which includes all of the
file-translation code.
%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))
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
BuildRequires: perl-devel
%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
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
BuildRequires: python2-devel
%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(release)
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
BuildRequires: ruby-devel
%description -n ruby-%{name}
Ruby wrapper for the Open Babel library.
%prep
%setup -q -n %{name}-%{commit}
%patch1 -p1 -b .perl_path
%patch4 -p1 -b .plugindir
%patch6 -p1 -b .noswig_ruby
%patch7 -p1 -b .ruby_vendor
%ifarch %{power64} s390 s390x armv7hl aarch64
%patch8 -p1 -b .some_arches
%endif
%patch10 -p1 -b .rbconfig
%patch11 -p1 -b .gcc5
%patch12 -p1 -b .swig3
convert src/GUI/babel.xpm -transparent white babel.png
# Remove duplicate html files
pushd doc
for man in *.1; do
html=`basename $man .1`.html
if [ -f $html ]; then
rm $html
fi
done
%build
%cmake \
-DCMAKE_SKIP_RPATH:BOOL=ON \
-DBUILD_GUI:BOOL=ON \
-DPYTHON_BINDINGS:BOOL=ON \
-DPERL_BINDINGS:BOOL=ON \
-DRUBY_BINDINGS:BOOL=ON \
-DOPENBABEL_USE_SYSTEM_INCHI=true \
-DENABLE_VERSIONED_FORMATS=false \
-DRUN_SWIG=true \
-DENABLE_TESTS:BOOL=ON \
.
make VERBOSE=1 %{?_smp_mflags}
%install
make VERBOSE=1 DESTDIR=%{buildroot} install
rm %{buildroot}%{_libdir}/cmake/openbabel2/*.cmake
desktop-file-install --dir=%{buildroot}%{_datadir}/applications %{SOURCE1}
install -Dpm644 babel.png %{buildroot}%{_datadir}/pixmaps/babel.png
%if 1
%check
export CTEST_OUTPUT_ON_FAILURE=1
make test
%endif
%post libs -p /sbin/ldconfig
%postun libs -p /sbin/ldconfig
%files
%defattr(-,root,root,-)
%{_bindir}/babel
%{_bindir}/ob*
%{_bindir}/roundtrip
%{_mandir}/man1/*.1*
%files devel
%defattr(-,root,root,-)
%{_includedir}/%{name}-2.0
%{_libdir}/libopenbabel.so
%{_libdir}/pkgconfig/*.pc
%files doc
%defattr(-,root,root,-)
%doc doc/*.html doc/README* doc/dioxin.*
%files gui
%defattr(-,root,root,-)
%{_bindir}/obgui
%{_datadir}/applications/obgui.desktop
%{_datadir}/pixmaps/babel.png
%files libs
%defattr(-,root,root,-)
%{_datadir}/%{name}/
%{_libdir}/%{name}/
%{_libdir}/libopenbabel.so.*
%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,-)
%{python2_sitearch}/_openbabel.so
%{python2_sitearch}/openbabel.py*
%{python2_sitearch}/pybel.py*
# Egg-info is not generated in 2.3.2, see upstream bug 837
#%{python_sitearch}/openbabel*.egg-info
%files -n ruby-%{name}
%defattr(-,root,root,-)
%{ruby_vendorarchdir}/openbabel.so
%changelog
* Sat Feb 07 2015 Dominik Mierzejewski <rpm@greysector.net> 2.3.90-0.1.20150204git75414ad
- update to current Git master HEAD
- drop obsolete patches
- rebase remaining patches
- drop zlib-devel from BR (required by libxml2-devel)
- add gcc-c++ to BR
- fix building bindings with swig-3.x
- drop old Obsoletes: and Provides:
* Tue Jan 27 2015 Marcin Juszkiewicz <mjuszkiewicz@redhat.com> - 2.3.2-11
- Unify patches which disable tests on ppc64, s390(x), arm and enable
result also for aarch64. rhbugs: #1108103 #1094491 #1094513
* Fri Jan 16 2015 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2.3.2-10
- Rebuild for https://fedoraproject.org/wiki/Changes/Ruby_2.2
- Remove deprecated Config:: usage
* Thu Nov 13 2014 Dan Horák <dan[at]danny.cz> - 2.3.2-9
- disable some tests also on s390(x)
* Wed Oct 15 2014 Karsten Hopp <karsten@redhat.com> 2.3.2-8
- disable some tests on ppc64 to unblock other builds (#1108103)
* Wed Aug 27 2014 Jitka Plesnikova <jplesnik@redhat.com> - 2.3.2-7
- Perl 5.20 rebuild
* Sun Aug 17 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.2-6
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild
* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.2-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild
* Sun Apr 27 2014 Dominik Mierzejewski <rpm@greysector.net> 2.3.2-4
- fix and enable testsuite
- drop ancient Obsoletes: (rhbz#1002135)
- drop ruby < 2.0 conditional Requires:
- temporarily disable two tests failing on ARM (rhbz#1094491)
* Fri Apr 25 2014 Vít Ondruch <vondruch@redhat.com> - 2.3.2-3
- Rebuilt for https://fedoraproject.org/wiki/Changes/Ruby_2.1
* Sat Aug 03 2013 Petr Pisar <ppisar@redhat.com> - 2.3.2-2
- Perl 5.18 rebuild
* Thu Jul 18 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.3.2-1
- Turned off versioned formats.
- Filter out private provides.
- Update to 2.3.2.
* Wed Jul 17 2013 Petr Pisar <ppisar@redhat.com> - 2.3.1-9
- Perl 5.18 rebuild
* Fri Mar 22 2013 Vít Ondruch <vondruch@redhat.com> - 2.3.1-8
- Rebuild for https://fedoraproject.org/wiki/Features/Ruby_2.0.0
* Thu Feb 14 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.1-7
- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild
* Fri Jul 20 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.1-6
- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
* Fri Jun 08 2012 Petr Pisar <ppisar@redhat.com> - 2.3.1-5
- Perl 5.16 rebuild
* Fri Apr 6 2012 Mamoru Tasaka <mtasaka@fedoraproject.org> - 2.3.1-4
- Fix several issues related to ruby modules
- Fix build with gcc47 (on Linux)
- Fix SWIG_init even when not using swig (#772149)
- Use vendorarchdir instead of sitearch on F-17+
- Fix ruby(abi) requirement
* Tue Feb 28 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.1-3
- Rebuilt for c++ ABI breakage
* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.1-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild
* Fri Oct 21 2011 Dominik Mierzejewski <rpm@greysector.net> 2.3.1-1
- update to 2.3.1
- drop obsolete patches (merged upstream)
- add desktop file for the GUI
* Mon Jun 20 2011 Marcela Mašláňová <mmaslano@redhat.com> - 2.3.0-5
- Perl mass rebuild
* Thu Jun 09 2011 Marcela Mašláňová <mmaslano@redhat.com> - 2.3.0-4
- Perl 5.14 mass rebuild
* Tue Mar 22 2011 Kevin Kofler <Kevin@tigcc.ticalc.org> 2.3.0-3
- fix plugin directory location (#680292, patch by lg)
- show forcefields list in obenergy output (#680292, patch by lg)
* Tue Feb 08 2011 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.0-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild
* Sun Nov 21 2010 Dominik Mierzejewski <rpm@greysector.net> 2.3.0-1
- build system switched to cmake
- enabled GUI
- enabled Eigen2
- updated to 2.3.0 final
- patched to fix various build issues
- split libs and GUI into separate subpackages
- fixed rpmlint warnings about strange file permissions
* Wed Jul 21 2010 David Malcolm <dmalcolm@redhat.com> - 2.2.3-4
- Rebuilt for https://fedoraproject.org/wiki/Features/Python_2.7/MassRebuild
* Wed Jul 07 2010 Dominik Mierzejewski <rpm@greysector.net> 2.2.3-3
- rebuild against inchi 1.0.3
* 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
Reference in New Issue View Git Blame Copy Permalink