%define name mpqc %define version 2.3.1 %define release %mkrel 6 %define major 7 %define libname %mklibname SC %major %define develname %mklibname SC -d Summary: Ab-inito chemistry program Name: %name Version: %version Release: %release License: GPL Group: Sciences/Chemistry Source: http://prdownloads.sourceforge.net/mpqc/%name-%version.tar.bz2 URL: http://mpqc.org/ BuildRoot: %{_tmppath}/%name-buildroot BuildRequires: flex bison lapack-devel BuildRequires: gcc-gfortran tk blas-devel mpich2-devel doxygen BuildRequires: autoconf BuildConflicts: gcc3.3-g77 %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 data Summary: Atom info and basis sets from MPQC Group: Sciences/Chemistry %description data Atom info and basis sets from MPQC. %package html Summary: HTML documentation for MPQC Group: Sciences/Chemistry %description html This package contains the full documentation for MPQC that can be viewed with a graphical browser like Mozilla. %package -n molrender Summary: Graphical molecular rendering program Group: Sciences/Chemistry %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 Requires: %name-data %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 %{develname} Summary: Main libraries for %name Group: Development/C++ Requires: %libname = %version Provides: libSC-devel Provides: SC-devel Obsoletes: %{mklibname SC 7 -d} %description -n %{develname} 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. %prep %setup -q %build sed -i -e 's,prefix\/lib,prefix\/%{_lib},g' configure.in autoconf %configure2_5x --enable-shared --enable-threads %make cd doc make make man1 make man3 %install rm -fr %{buildroot} echo hello make install installroot=%{buildroot} make install_devel installroot=%{buildroot} cp -r doc/man %buildroot/%{_datadir} mkdir -p %{buildroot}%{_datadir}/applications cat > %{buildroot}%{_datadir}/applications/mandriva-%{name}.desktop << EOF [Desktop Entry] Name=Molrender Comment=Ab-inito chemistry program Exec=%{_bindir}/tkmolrender Icon=sciences_section Terminal=false Type=Application Categories=Science;Chemistry; EOF %multiarch_binaries %{buildroot}%{_bindir}/sc-config %clean rm -rf %{buildroot} %if %mdkversion < 200900 %post -n molrender %{update_menus} %endif %if %mdkversion < 200900 %postun -n molrender %{clean_menus} %endif %if %mdkversion < 200900 %post -n %{libname} -p /sbin/ldconfig %endif %if %mdkversion < 200900 %postun -n %{libname} -p /sbin/ldconfig %endif %files %defattr(-,root,root) %doc CHANGES CITATION LICENSE README %{_bindir}/mpqc %{_bindir}/chkmpqcout %{_bindir}/scls %{_bindir}/scpr %{_bindir}/*run %{_mandir}/man1/mpqc* %{_mandir}/man1/scls* %{_mandir}/man1/scpr* %files data %defattr(-,root,root) %{_datadir}/%name %files html %defattr(-,root,root) %doc doc/html %files -n %{libname} %defattr(-,root,root) %{_libdir}/lib*.so.%{major}* %files -n %{develname} %defattr(-,root,root) %{_bindir}/sc-* %{multiarch_bindir}/sc-config %{_libdir}/lib*.so %{_libdir}/*.a %{_libdir}/*.la %{_includedir}/* %{_mandir}/man1/sc-* %{_mandir}/man3/* %files -n molrender %defattr(-,root,root) %{_bindir}/molrender %{_bindir}/tkmolrender %{_datadir}/applications/mandriva-%{name}.desktop %{_mandir}/man1/molrender* %changelog * Tue Jul 08 2008 Funda Wang <fundawang@mandriva.org> 2.3.1-6mdv2009.0 + Revision: 232816 - fix rpmlint error + Pixel <pixel@mandriva.com> - rpm filetriggers deprecates update_menus/update_scrollkeeper/update_mime_database/update_icon_cache/update_desktop_database/post_install_gconf_schemas - do not call ldconfig in %%post/%%postun, it is now handled by filetriggers * Mon Jan 07 2008 Adam Williamson <awilliamson@mandriva.com> 2.3.1-6mdv2008.1 + Revision: 146330 - correct hardcoding of /usr/lib in configure.in: fixes sc-config on x86-64 and possibly other things - new devel policy - tidy spec * Mon Jan 07 2008 Adam Williamson <awilliamson@mandriva.com> 2.3.1-5mdv2008.1 + Revision: 146156 - rebuild to see if it fixes a problem with the library on x86-64 + Olivier Blin <oblin@mandriva.com> - restore BuildRoot + Thierry Vignaud <tvignaud@mandriva.com> - kill re-definition of %%buildroot on Pixel's request * Sun Nov 11 2007 Austin Acton <austin@mandriva.org> 2.3.1-4mdv2008.1 + Revision: 107502 - adjust buildrequires - rebuild for lapack + Thierry Vignaud <tvignaud@mandriva.com> - kill desktop-file-validate's 'warning: key "Encoding" in group "Desktop Entry" is deprecated' * Tue Aug 28 2007 Funda Wang <fundawang@mandriva.org> 2.3.1-3mdv2008.0 + Revision: 72332 - fix menu entry comment * Thu May 10 2007 Austin Acton <austin@mandriva.org> 2.3.1-2mdv2008.0 + Revision: 26068 - rebuild * Sat Dec 09 2006 Emmanuel Andry <eandry@mandriva.org> 2.3.1-1mdv2007.0 + Revision: 94308 - New version 2.3.1 disable libtoolize - xdg menu * Sat Dec 09 2006 Emmanuel Andry <eandry@mandriva.org> 2.3.0-2mdv2007.1 + Revision: 94198 - rebuild for missing requires - Import mpqc * Sun Dec 03 2006 Austin Acton <austin@mandriva.org> 2.3.0-1mdk - 2.3.0 - man and html now in main tarball - major 7 - fix my dumb idea to put data files into the library package * Tue Sep 20 2005 Pascal Terjan <pterjan@mandriva.org> 2.2.3-4mdk - Multiarch * Tue Sep 20 2005 Pascal Terjan <pterjan@mandriva.org> 2.2.3-3mdk - BUildConflicts gcc3.3-g77 * Tue Jul 26 2005 Austin Acton <austin@mandriva.org> 2.2.3-2mdk - fix major - drop libtoolize hack - mklibname - move headers to /usr/include/SC - add man pages - new URL - configure 2.5 - split off html documentation - compile against mpich - add missing docs - move some config utils to devel package * Thu Jul 21 2005 Nicolas Lécureuil <neoclust@mandriva.org> 2.2.3-1mdk - 2.2.3 - mkrel - Fix BuildRequires - Patch 0 : Fix Build For Gcc4 * Thu Jun 17 2004 Lenny Cartier <lenny@mandrakesoft.com> 2.2.2-1mdk - 2.2.2