[PyQuante/f13/master] Added Requires: openbabel, rebuild against libint, libint interface in separate package.

[Jussi Lehtola]

commit 37b18af842c5e699d01d15a1c4df1b4ffd76a7d0
Author: Jussi Lehtola <jussilehtola at fedoraproject.org>
Date:   Thu Dec 2 17:08:22 2010 +0200

    Added Requires: openbabel, rebuild against libint, libint interface in separate package.

 PyQuante.spec |   49 +++++++++++++++++++++++++++++++++++++++----------
 1 files changed, 39 insertions(+), 10 deletions(-)
---
diff --git a/PyQuante.spec b/PyQuante.spec
index fca12dc..585ceaf 100644
--- a/PyQuante.spec
+++ b/PyQuante.spec
@@ -4,7 +4,7 @@
 
 Name:		PyQuante
 Version:	1.6.3
-Release:	5.%{svnrel}%{?dist}
+Release:	6.%{svnrel}%{?dist}
 Summary:	Python Quantum Chemistry
 Group:		Applications/Engineering
 License:	BSD
@@ -19,7 +19,9 @@ BuildRequires:	python-devel
 BuildRequires:	python-setuptools
 BuildRequires:	numpy
 BuildRequires:	libint-devel
+
 Requires:	numpy
+Requires:	openbabel
 
 %description
 PyQuante is an open-source suite of programs for developing quantum chemistry
@@ -32,6 +34,20 @@ that), but rather to provide a well-engineered set of tools so that scientists
 can construct their own quantum chemistry programs without going through the
 tedium of having to write every low-level routine.
 
+You might want to install PyQuante-libint as well, which speeds up the
+calculation of two-electron integrals.
+
+%package libint
+Summary:	Libint integration to PyQuante
+Requires:	%{name} = %{version}-%{release}
+License:	GPLv2+
+
+%description libint
+This package contains integration of PyQuante with the libint library for
+computing two-electron integrals. It is much faster than the normal routines in
+PyQuante.
+
+
 %prep
 #setup -q
 %setup -q -n pyquante 
@@ -61,11 +77,24 @@ cd Tests
 %defattr(-,root,root,-)
 %doc LICENSE README Doc/*
 %{python_sitearch}/%{name}/
+# libint library goes into a different package
+%exclude %{python_sitearch}/%{name}/clibint.so
 %{python_sitearch}/%{name}-%{version}-py*.egg-info
 %{_datadir}/%{name}/
 
+%files libint
+%defattr(-,root,root,-)
+%{python_sitearch}/%{name}/clibint.so
+
 %changelog
-* Wed Nov 03 2010 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.3-5.174svn
+* Wed Dec 01 2010 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.3-6.174svn
+- Added Requires: openbabel.
+- Rebuild against libint, which was recompiled to support basis sets of
+  larger angular momentum.
+- Split libint library in a separate package due to the resulting binary
+  being GPLv2+ licensed.
+
+* Wed Nov 03 2010 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.3-5.174svn
 - Switch to using an SVN snapshot.
 - Build against libint.
 - Run tests.
@@ -73,31 +102,31 @@ cd Tests
 * Wed Jul 21 2010 David Malcolm <dmalcolm at redhat.com> - 1.6.3-4
 - Rebuilt for https://fedoraproject.org/wiki/Features/Python_2.7/MassRebuild
 
-* Thu Dec 17 2009 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.3-3
+* Thu Dec 17 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.3-3
 - Fix FTBFS on Fedora 13.
 
 * Fri Jul 24 2009 Fedora Release Engineering <rel-eng at lists.fedoraproject.org> - 1.6.3-2
 - Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild
 
-* Wed Feb 25 2009 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.3-1
+* Wed Feb 25 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.3-1
 - Update to 1.6.3 that fixes the rest of the rpmlint errors.
 
-* Wed Feb 25 2009 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.2-1
+* Wed Feb 25 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.2-1
 - Fix source URL.
 - Update to 1.6.2 that removes the shebangs and removes the use of the with 
 keyword.
 
-* Tue Feb 24 2009 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.1-5
+* Tue Feb 24 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.1-5
 - Add tests to %%{_datadir}/%%{name}.
 
-* Tue Feb 24 2009 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.1-4
+* Tue Feb 24 2009 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.1-4
 - Review fixes.
 
-* Fri Nov 21 2008 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.1-3
+* Fri Nov 21 2008 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.1-3
 - Fixed license tag.
 
-* Thu Nov 13 2008 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.1-2
+* Thu Nov 13 2008 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.1-2
 - Initial review fixes. 
 
-* Sun Oct 26 2008 Jussi Lehtola <jussi.lehtola at iki.fi> - 1.6.1-1
+* Sun Oct 26 2008 Jussi Lehtola <jussilehtola at fedoraproject.org> - 1.6.1-1
 - First release.