Name: ghemical Summary: Molecular mechanics and quantum mechanics front end for GNOME Version: 2.99.2 Release: 15%{?dist} License: GPLv2+ Group: Applications/Engineering 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: desktop-file-utils BuildRequires: glib2-devel BuildRequires: gtkglext-devel BuildRequires: intltool BuildRequires: libbonoboui-devel BuildRequires: libghemical-devel >= 2.99.1 BuildRequires: libglade2-devel >= 2.4.0 BuildRequires: mesa-libGL-devel BuildRequires: mesa-libGLU-devel BuildRequires: mopac7-devel >= 1.14 BuildRequires: mpqc-devel BuildRequires: liboglappth-devel >= 0.98 BuildRequires: openbabel-devel >= 2.2 Requires: libghemical >= 2.99.1 Requires: hicolor-icon-theme BuildRoot: %(mktemp -ud %{_tmppath}/%{name}-%{version}-%{release}-XXXXXX) %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 # fixup character set iconv -f iso8859-1 -t utf-8 AUTHORS > AUTHORS.conv && \ touch -r AUTHORS AUTHORS.conv && \ mv -f AUTHORS.conv AUTHORS #help : use default www-browser perl -pi -e "s|mozilla|www-browser|" src/gtk_app.cpp cat >%{name}.desktop << EOF [Desktop Entry] Name=%{name} Comment=Molecular mechanics and quantum mechanics front-end for GNOME Exec=%{_bindir}/%{name} Icon=%{name} Terminal=false Type=Application StartupNotify=true Categories=GNOME;GTK;Education;Science;Chemistry;Physics; Version=1.0 EOF %build %configure --enable-threads --enable-openbabel make %{?_smp_mflags} %install rm -rf %{buildroot} make DESTDIR="%{buildroot}" INSTALL="install -p" install install -D -p -m 644 %{SOURCE11} %{buildroot}%{_datadir}/icons/hicolor/16x16/apps/%{name}.png install -D -p -m 644 %{SOURCE12} %{buildroot}%{_datadir}/icons/hicolor/32x32/apps/%{name}.png install -D -p -m 644 %{SOURCE13} %{buildroot}%{_datadir}/icons/hicolor/48x48/apps/%{name}.png install -D -p -m 644 %{name}.desktop %{buildroot}%{_datadir}/applications/%{name}.desktop desktop-file-validate %{buildroot}%{_datadir}/applications/%{name}.desktop %find_lang %{name} %post touch --no-create %{_datadir}/icons/hicolor &>/dev/null || : %postun if [ $1 -eq 0 ] ; then touch --no-create %{_datadir}/icons/hicolor &>/dev/null gtk-update-icon-cache %{_datadir}/icons/hicolor &>/dev/null || : fi %posttrans gtk-update-icon-cache %{_datadir}/icons/hicolor &>/dev/null || : %clean rm -rf %{buildroot} %files -f %{name}.lang %defattr(-,root,root,-) %doc AUTHORS ChangeLog TODO COPYING %{_bindir}/%{name} %{_datadir}/%{name}/ %{_datadir}/icons/hicolor/*/apps/%{name}.png %{_datadir}/applications/%{name}.desktop %changelog * Mon Jun 28 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-15 - bump version again for missing sources * Mon Jun 28 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-14 - bump version for missing sources * Mon Jun 21 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-13 - Fedora review cleanup * Sat Jun 19 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-12 - Fedora review issues: - utf-8 AUTHORS * Tue Apr 20 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-11 - Switch to pkg-config for liboglappth libs * Thu Apr 08 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-10 - remove sc_ libs since those are now pulled in by libghemical * Mon Apr 05 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-9 - changes for libghemical packaging changes * Sat Apr 03 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-8 - changes for libghemical packaging changes - fix spelling warning - use find_lang macro * Sat Jan 09 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-7 - add COPYING license file to doc * Wed Dec 23 2009 Carl Byington <carl@five-ten-sg.com> 2.99.2-6 - install -p to preserve timestamps - trim changelog * Sat Dec 02 2009 Carl Byington <carl@five-ten-sg.com> 2.99.2-5 - remove unnecessary f2c requirement - don't install zero length NEWS README files * Wed Dec 02 2009 Carl Byington <carl@five-ten-sg.com> 2.99.2-4 - convert to fedora compatible spec file - remove bonobo and gamess options - trim changelog * 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