Name: ghemical Version: 2.99.2 Release: %mkrel 4 Summary: Molecular mechanics and quantum mechanics frontend for GNOME License: GPLv2+ Group: Sciences/Chemistry URL: http://www.uku.fi/~thassine/ghemical/ Source0: http://www.uku.fi/~thassine/projects/download/current/%{name}-%{version}.tar.gz Source11: %{name}-16x16.png Source12: %{name}-32x32.png Source13: %{name}-48x48.png BuildRequires: gcc-gfortran BuildRequires: ghemical-devel >= 2.99.1 BuildRequires: openbabel-devel >= 2.2 BuildRequires: bonoboui-devel BuildRequires: f2c-devel BuildRequires: flex BuildRequires: gtkglext-devel BuildRequires: mopac7-devel >= 1.14 BuildRequires: oglappth-devel >= 0.98 BuildRequires: libglade2.0-devel >= 2.4.0 BuildRequires: mesagl-devel BuildRequires: mesaglu-devel BuildRequires: libSC-devel BuildRequires: intltool Buildroot: %{_tmppath}/%{name}-%{version} Requires: libghemical-data >= 2.99.1 %description Ghemical is a computational chemistry application. Ghemical is written in C++. It has a graphical user interface (in fact, a couple of them), and it supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available. %prep %setup -q #help : use default www-browser perl -pi -e "s|mozilla|www-browser|" src/gtk_app.cpp %build libtoolize --copy --force aclocal autoconf automake CXXFLAGS="$RPM_OPT_FLAGS `pkg-config --cflags libbonobo-2.0` `pkg-config --cflags libbonoboui-2.0`" \ %configure2_5x --enable-threads \ --enable-bonobo \ --enable-openbabel \ --enable-shortcuts \ --enable-gamess %make LIBS="`pkg-config --libs libbonobo-2.0` `pkg-config --libs libbonoboui-2.0` \ `pkg-config libglade-2.0 --libs` `pkg-config gtkglext-1.0 --libs` \ -lghemical -lmopac7 -loglappth -lopenbabel -lf2c" %install rm -rf %{buildroot} %makeinstall_std install -m644 %{SOURCE11} -D %{buildroot}%{_iconsdir}/hicolor/16x16/apps/%{name}.png install -m644 %{SOURCE12} -D %{buildroot}%{_iconsdir}/hicolor/32x32/apps/%{name}.png install -m644 %{SOURCE13} -D %{buildroot}%{_iconsdir}/hicolor/48x48/apps/%{name}.png install -d %{buildroot}%{_datadir}/applications cat > %{buildroot}%{_datadir}/applications/mandriva-%{name}.desktop << EOF [Desktop Entry] Name=%{name} Comment=GNOME MM/QM Frontend Exec=%{_bindir}/%{name} Icon=%{name} Terminal=false Type=Application StartupNotify=true Categories=GNOME;GTK;Science;Chemistry; EOF %find_lang %{name} %if %mdkversion < 200900 %post %{update_menus} %{update_icon_cache hicolor} %postun %{clean_menus} %{clean_icon_cache hicolor} %endif %clean rm -rf %{buildroot} %files -f %{name}.lang %defattr(-,root,root) %doc AUTHORS ChangeLog README NEWS TODO %{_bindir}/%{name} %{_datadir}/%{name} %{_iconsdir}/hicolor/*/apps/%{name}.png %{_datadir}/applications/mandriva-%{name}.desktop %changelog * Fri Jan 15 2010 Jérôme Brenier <incubusss@mandriva.org> 2.99.2-4mdv2010.1 + Revision: 491810 -rebuild now that mpqc linkage issue is fixed - fix desktop file - use find_lang * Fri Oct 16 2009 Guillaume Bedot <littletux@mandriva.org> 2.99.2-3mdv2010.0 + Revision: 457863 - fix buildrequires - Add translations files - New release - fix buildrequires - New release - drop merged patch - update license * Fri Sep 11 2009 Thierry Vignaud <tvignaud@mandriva.com> 2.98-3mdv2010.0 + Revision: 437686 - rebuild * Tue Jan 13 2009 Guillaume Bedot <littletux@mandriva.org> 2.98-2mdv2009.1 + Revision: 328823 - Fix browser for help * Mon Aug 11 2008 Emmanuel Andry <eandry@mandriva.org> 2.98-1mdv2009.0 + Revision: 270768 - New version - add patch from archlinux to fix build * Thu Jul 24 2008 Thierry Vignaud <tvignaud@mandriva.com> 2.95-4mdv2009.0 + Revision: 246063 - rebuild + Pixel <pixel@mandriva.com> - rpm filetriggers deprecates update_menus/update_scrollkeeper/update_mime_database/update_icon_cache/update_desktop_database/post_install_gconf_schemas * Tue Mar 25 2008 Guillaume Bedot <littletux@mandriva.org> 2.95-2mdv2008.1 + Revision: 189858 - Fix requires (bug #39039) * Thu Mar 06 2008 Guillaume Bedot <littletux@mandriva.org> 2.95-1mdv2008.1 + Revision: 180820 - 2.95 * Tue Jan 08 2008 Adam Williamson <awilliamson@mandriva.org> 2.10-5mdv2008.1 + Revision: 146862 - remove unnecessary defines - rebuild for newer libgfortran - drop Mandriva category from XDG menu entry - new license policy - fd.o icons - small spec cleanups + Olivier Blin <oblin@mandriva.com> - restore BuildRoot + Thierry Vignaud <tvignaud@mandriva.com> - kill re-definition of %%buildroot on Pixel's request - kill desktop-file-validate's 'warning: key "Encoding" in group "Desktop Entry" is deprecated' + Lev Givon <lev@mandriva.org> - Bump release to build against lapack 3.1.1. Update build requirements. + Austin Acton <austin@mandriva.org> - rebuild for openbabel * Tue Aug 22 2006 Per Ãyvind Karlsen <pkarlsen@mandriva.com> 2.10-0.1.20060mdk - 2.10 - xdg menu - various fixesblablabla * Thu Mar 09 2006 Per Ãyvind Karlsen <pkarlsen@mandriva.com> 1.02-1mdk - 1.02 - fix buildrequires - %%mkrel * Tue Jun 29 2004 Thierry Vignaud <tvignaud@mandrakesoft.com> 1.01-2mdk - rebuild for new g++ - patch 0: fix compiling with new g++ * Sun Jan 04 2004 Per Ãyvind Karlsen <peroyvind@linux-mandrake.com> 1.01-1mdk - 1.01 - drop explicit library dependencies - fix buildrequires (lib64..) - fix icons - rm -rf $RPM_BUILD_ROOT in %%install, not %%prep - macroize - cleanups