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debroglie / specs / trunk / objcryst-fox.spec

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%global revision R1352
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Name:           objcryst-fox
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Version:        1.9.8
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Release:        1.%{revision}%{?dist}
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Summary:        Viewing and solving crystal structures from powder diffraction data
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Group:          Applications/Engineering
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License:        GPLv2
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URL:            http://vincefn.net/Fox/
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Source0:        Fox-1.9.8-R1352.tar.bz2
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Source1:        FoxManual-20110913.pdf
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Source2:        Fox.desktop
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BuildRoot:      %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n)
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BuildRequires:  wxGTK-devel, newmat-devel, fftw-devel, freeglut-devel
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BuildRequires:  desktop-file-utils, gcc-c++
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%description
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The FOX program was made for the ab initio crystal structure solution 
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from diffraction data (mostly powder diffraction data). Its most 
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interesting features for ab initio structure determination are:
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    * a versatile description of the crystal contents: either isolated 
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atoms, molecules described using a bond length, bond angles and 
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dihedral angles, and polyhedra for inorganic compounds. You can 
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describe your structure by using any combination of groups of atoms, 
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using a chemist's or crystallographer knowledge about the connectivity 
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in your sample to constrain possible solutions;
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    * an automatic correction for special positions and shared atoms 
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between polyhedra, suitable for global optimization algorithms;
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    * the ability to use simultaneously multiple powder patterns 
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(X-rays, neutrons), as well as single crystal data (e.g. extracted 
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from a powder pattern);
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    * smart global optimization algorithms which can get out of 
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false minima;
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    * a graphical interface with a 3D crystal structure view, with 
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live updates during the optimization process.
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This program can be used also for educational purposes, to show a 3D display 
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of Crystal structures, and the associated powder pattern(s) (see how adding 
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atoms, changing the lattice, or changing the spacegroup affects the powder 
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spectrum and the 3D structure).
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%prep
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%setup -q -n Fox-1.9.8-%{revision}
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find . -type d -name .svn -print0 | xargs -0r rm -rf
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install -p -m 644 %{SOURCE1} ./FoxManual.pdf
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%build
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cd Fox
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#compile Fox
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make shared=1 unicode=1
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%install
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rm -rf $RPM_BUILD_ROOT
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install -p -D -m 755 Fox/src/Fox $RPM_BUILD_ROOT/%{_bindir}/Fox
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install -p -D -m 644 Fox/src/Fox.xpm %{buildroot}%{_datadir}/pixmaps/%{name}/Fox.xpm
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desktop-file-install \
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         --dir %{buildroot}%{_datadir}/applications      \
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         --add-category Application                      \
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         --add-category Education                        \
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         --vendor ""                                     \
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         %{SOURCE2}
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%clean
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rm -rf $RPM_BUILD_ROOT 
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%post
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touch --no-create %{_datadir}/pixmaps/%{name}
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if [ -x %{_bindir}/gtk-update-icon-cache ]; then
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  %{_bindir}/gtk-update-icon-cache -q %{_datadir}/pixmaps/%{name};
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fi
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update-mime-database %{_datadir}/mime &> /dev/null || :
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update-desktop-database &> /dev/null || :
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%postun
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touch --no-create %{_datadir}/pixmaps/%{name}
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if [ -x %{_bindir}/gtk-update-icon-cache ]; then
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  %{_bindir}/gtk-update-icon-cache -q %{_datadir}/pixmaps/%{name};
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fi
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update-mime-database %{_datadir}/mime &> /dev/null || :
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update-desktop-database &> /dev/null || :
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%files
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%defattr(-,root,root,-)
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%doc Fox/example Fox/LICENSE Fox/ChangeLog FoxManual.pdf
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%{_bindir}/Fox
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%{_datadir}/pixmaps/%{name}/Fox.xpm
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%{_datadir}/applications/Fox.desktop
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%changelog
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* Tue Feb 04 2014 Pascal < pascal22p@parois.net > - 1.9.8-1.R1352
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- Update to upstream version
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* Thu Aug 18 2011 Pascal < pascal22p@parois.net > - 1.9.6.0-1.R1296
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- Update to upstream version
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* Tue Nov 08 2010 Pascal < pascal22p@parois.net > - 1.9.0.2-1.R1269
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- Update to upstream version
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* Mon Feb 01 2010 Pascal < pascal22p@parois.net > - 1.9.0.2-1.R1215
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- Update to upstream version
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* Fri Nov 20 2009 Pascal < pascal22p@parois.net > - 1.9.0.1-1.R1204
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- Update to upstream version
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* Tue Sep 15 2009 Pascal < pascal22p@parois.net > - 1.8.1.2-2.R1119
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- replacement define macro with global macro
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- inclusion of the revision number in the release tag
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- deletion of explicit dependencies
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- new command for the deletion of .svn directories
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- add -p flag on install
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- use of a new pixmap location
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* Sat Apr 11 2009 Pascal < pascal22p@parois.net > - 1.8.1.2-1
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- Update to upstream version
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* Sat Feb 14 2009 Pascal < pascal22p@parois.net > - 1.8.0.3-1
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- Fixed reading, writing files and display of labels in the linux unicode version of Fox 
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* Fri Feb 06 2009 Pascal < pascal22p@parois.net > - 1.8.0-2
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- add missing build require desktop-file-utils, remove uneeded dependencies.
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* Tue Jan 27 2009 Pascal < pascal22p@parois.net > - 1.8.0-1
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- update from svn to release
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* Wed Jan 21 2009 Pascal < pascal22p@parois.net > - 1.7.7.svn1074-1
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- update from upstream recomendations;
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- remove unnecerrary subfolders for doc.
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* Mon Jan 13 2009 Pascal < pascal22p@parois.net > - 1.7.7.svn1074-1
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- Fisrt spec file.