diff --git a/README.md b/README.md index 2dc4b2d..40ca6ef 100644 --- a/README.md +++ b/README.md @@ -1,2 +1,4 @@ # openbabel +OpenBabel 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 and computational chemistry. + diff --git a/openbabel.spec b/openbabel.spec new file mode 100644 index 0000000..77322a0 --- /dev/null +++ b/openbabel.spec @@ -0,0 +1,121 @@ +%define apiver 2.0 +%define minver %(echo %version | cut -d. -f 2-) +Name: openbabel +Version: 2.3.2 +Release: 1mamba +Summary: Chemistry file translation program +Group: Applications/Educational +Vendor: openmamba +Distribution: openmamba +Packager: Silvan Calarco +URL: http://downloads.sourceforge.net/sourceforge/openbabel/ +Source: http://downloads.sourceforge.net/openbabel/openbabel-%{version}.tar.gz +License: GPL +## AUTOBUILDREQ-BEGIN +BuildRequires: glibc-devel +BuildRequires: libgcc +BuildRequires: libstdc++6-devel +BuildRequires: libxml2-devel +BuildRequires: libz-devel +## AUTOBUILDREQ-END +BuildRoot: %{_tmppath}/%{name}-%{version}-root + +%description +OpenBabel 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 and computational chemistry. + +%package devel +Summary: Devel package for %{name} +Group: Development/Libraries +Requires: %{name} = %{version} + +%description devel +OpenBabel 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 and computational chemistry. + +This package contains static libraries and header files need for development. + +%prep +%setup -q + +%build +%cmake \ + -DCMAKE_SHARED_LINKER_FLAGS="-ltirpc" + +%make + +%install +[ "%{buildroot}" != / ] && rm -rf %{buildroot} +%makeinstall + +%clean +[ "%{buildroot}" != / ] && rm -rf %{buildroot} + +%post -p /sbin/ldconfig +%postun -p /sbin/ldconfig + +%files +%defattr(-,root,root) +#%{_bindir}/OBGUI +%{_bindir}/babel +%{_bindir}/obabel +%{_bindir}/obfit +%{_bindir}/obgrep +%{_bindir}/obrotate +%{_bindir}/obchiral +%{_bindir}/obconformer +%{_bindir}/obenergy +%{_bindir}/obgen +%{_bindir}/obgui +%{_bindir}/obminimize +%{_bindir}/obprobe +%{_bindir}/obprop +%{_bindir}/obrms +%{_bindir}/obrotamer +%{_bindir}/obspectrophore +%{_bindir}/roundtrip +%{_libdir}/libinchi.so.* +%{_libdir}/libopenbabel.so.* +%{_datadir}/openbabel/* +%{_mandir}/man1/babel.1.gz +%{_mandir}/man1/ob*.1.gz +%{_mandir}/man1/roundtrip.1.gz +%doc AUTHORS COPYING +# ChangeLog NEWS README THANKS + +%files devel +%defattr(-,root,root) +%{_includedir}/inchi/inchi_api.h +%dir %{_includedir}/openbabel-%{apiver} +%dir %{_includedir}/openbabel-%{apiver}/openbabel +%dir %{_includedir}/openbabel-%{apiver}/openbabel/math +%{_includedir}/openbabel-%{apiver}/openbabel/math/*.h +%dir %{_includedir}/openbabel-%{apiver}/openbabel/stereo +%{_includedir}/openbabel-%{apiver}/openbabel/stereo/*.h +%{_includedir}/openbabel-%{apiver}/openbabel/*.h +%{_libdir}/openbabel/%{version}/*.so +%{_libdir}/libinchi.so +%{_libdir}/libopenbabel.so +%dir %{_libdir}/cmake/openbabel2 +%{_libdir}/cmake/openbabel2/OpenBabel2*.cmake +%{_libdir}/pkgconfig/*.pc + +%changelog +* Fri Dec 28 2012 Automatic Build System 2.3.2-1mamba +- automatic version update by autodist + +* Fri Mar 04 2011 Automatic Build System 2.3.0-1mamba +- automatic update by autodist + +* Tue Aug 04 2009 Automatic Build System 2.2.3-1mamba +- automatic update by autodist + +* Fri Jul 17 2009 Automatic Build System 2.2.2-1mamba +- automatic update by autodist + +* Sun Mar 22 2009 Silvan Calarco 2.2.1-1mamba +- automatic update by autodist + +* Mon Oct 13 2008 gil 2.2.0-1mamba +- update to 2.2.0 + +* Tue Aug 30 2005 Massimo Pintore 1.100.2-1qilnx +- package created by autospec