%define name 	mpqc
%define version 2.1.1
%define release 1mdk
%define	major	3
%define	libname	libSC%major

Summary: Ab-inito chemistry program.
Name: %name
Version: %version
Release: %release
License: GPL
Group: Sciences/Chemistry
Source: %name-%version.tar.bz2
Source1: %name-html-%version.tar.bz2
URL: http://aros.ca.sandia.gov/%7Ecljanss/mpqc/
BuildRoot: %{_tmppath}/%name-buildroot
BuildRequires: flex bison libblas3-devel liblapack3 gcc-g77 tk
Requires: libblas3 liblapack3
Requires: %libname
Provides: %libname

%description
MPQC is the Massively Parallel Quantum Chemistry Program. It computes 
properties of atoms and molecules from first principles using the time 
independent Schrödinger equation. It runs on a wide range of architectures 
ranging from individual workstations to symmetric multiprocessors to 
massively parallel computers. Its design is object oriented, using the C++ 
programming language.

If you want to use this program on a distributed (parallel) network, you'll 
also have to install the libmpich package.
 
%package -n molrender
Summary:	Graphical molecular rendering program.
Group:		Sciences/Chemistry
Requires:	%libname
Provides:	%libname

%description -n molrender
This package graphically renders 3D molecules based on the output of 
computational chemistry packages like mpqc.

%package -n %libname
Summary:	Main libraries for %name.
Group:		System/Libraries

%description -n %{libname}
This package contains the library needed to run programs dynamically linked 
with %libname, the scientific computing toolkit, based on mpqc computational 
chemistry package from Sandia Labs.

%package -n %libname-devel
Summary:        Main libraries for %name.
Group:          Development/C++
Requires:	%libname = %version
Provides:	libSC-devel

%description -n %{libname}-devel
This package contains the library needed to run programs dynamically linked
with %libname, the scientific computing toolkit, based on mpqc computational
chemistry package from Sandia Labs.

%package -n %name-devel
Summary:        Development tools for %name.
Group:          Development/C++

%description -n %name-devel
The %name-devel package includes the header files and static libraries 
necessary for developing %name.  If you are going to compile programs based on 
%name, you should install %name-devel.

%prep
rm -rf $RPM_BUILD_ROOT

%setup -q

%build
%configure --enable-shared --enable-threads --with-sc-datadir=/usr/share/mpqc --disable-doxygen-man
%make

%install
%makeinstall scdatadir=$RPM_BUILD_ROOT/usr/share/mpqc
make install_inc prefix=$RPM_BUILD_ROOT/usr includedir=$RPM_BUILD_ROOT/usr/include/%name
mkdir -p $RPM_BUILD_ROOT/%{_datadir}/doc
cd $RPM_BUILD_ROOT/%{_datadir}/doc
tar xfj %{SOURCE1}

# Menu
mkdir -p %buildroot/%{_menudir}
cat > %buildroot/%{_menudir}/molrender <<EOF
?package(molrender): command="%{_bindir}/tkmolrender" needs="X11" \
icon="sciences_section.png" section="Applications/Sciences/Chemistry" \
title="Molrender" longtitle="Molecular Rendering GUI"
EOF

%clean
#rm -rf %buildroot

%post -n molrender
%{update_menus}

%postun -n molrender
%{clean_menus}

%post -n %libname -p /sbin/ldconfig

%postun -n %libname -p /sbin/ldconfig

%files
%defattr(-,root,root)
%doc COPYING LICENSE README
%doc %{_docdir}/mpqc-html-%version
%{_bindir}/mpqc
%{_bindir}/chkmpqcout
%{_bindir}/scls
%{_bindir}/scpr
%{_datadir}/mpqc

%files -n %{libname}
%defattr(-,root,root)
%{_libdir}/lib*.so.*

%files -n %{libname}-devel
%defattr(-,root,root)
%{_libdir}/lib*.so
%{_libdir}/*.a


%files -n %name-devel
%defattr(-,root,root)
%{_includedir}/*

%files -n molrender
%defattr(-,root,root)
%{_bindir}/molrender
%{_bindir}/tkmolrender
%{_menudir}/*

%changelog
* Fri Sep 20 2002 Lenny Cartier <lenny@mandrakesoft.com> 2.1.1-1mdk
- split devel package
- fix url
- fix posts
- wrap descriptions
- from Austin Acton <aacton@yorku.ca> :
	- initial package for Mandrake 9.0