Name:           ghemical

Summary:        Molecular mechanics and quantum mechanics front end for GNOME

Version:        3.0.0

Release:        15%{?dist}

License:        GPLv2+

URL:            http://www.bioinformatics.org/ghemical/ghemical/index.html

Source0:        http://www.bioinformatics.org/ghemical/download/current/%{name}-%{version}.tar.gz

# From Debian:

# https://sources.debian.org/data/main/g/ghemical/3.0.0-4/debian/patches/fix_clang_ftbfs.patch

Patch0:         ghemical-3.0.0-gcc9-friend.patch

# generated by using ImageMagick convert:

# for size in 16 32 48 128 ; 

#   do convert -resize ${size}x${size} -gravity center -background none \

#     -extent ${size}x${size} ghemical-3.0.0/src/res_gtk/ghemical.png \

#     ghemical-${size}x${size}.png ; 

#  done

Source11:       %{name}-16x16.png

Source12:       %{name}-32x32.png

Source13:       %{name}-48x48.png

Source14:       %{name}-128x128.png

BuildRequires:  gcc-c++

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

BuildRequires: make

Requires:       libghemical >= 2.99.1

Requires:       hicolor-icon-theme

Requires:       xorg-x11-fonts-ISO8859-1-100dpi

%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

%patch0 -p1 -b .gcc9

# 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 xdg-open

perl -pi -e "s|mozilla|xdg-open|" 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 %{SOURCE14} %{buildroot}%{_datadir}/icons/hicolor/128x128/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}

%files -f %{name}.lang

%doc AUTHORS ChangeLog TODO COPYING

%{_bindir}/%{name}

%{_datadir}/%{name}/

%{_datadir}/icons/hicolor/*/apps/%{name}.png

%{_datadir}/applications/%{name}.desktop

%changelog

* Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-15

- Second attempt - Rebuilt for

  https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild

* Mon Jul 27 2020 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-14

- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild

* Tue Jan 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-13

- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild

* Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-12

- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild

* Sat Feb  2 2019 Mamoru TASAKA <mtasaka@fedoraproject.org> - 3.0.0-11

- Fix FTBFS with gcc9 wrt friend declaration

* Thu Jan 31 2019 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-11

- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild

* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-10

- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild

* Fri May  4 2018 Mamoru TASAKA <mtasaka@fedoraproject.org> - 3.0.0-9

- Regenerate icons, specify the origins of icons, correct size

  (ref: 1469386)

* Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-8

- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild

* Thu Jan 11 2018 Igor Gnatenko <ignatenkobrain@fedoraproject.org> - 3.0.0-7

- Remove obsolete scriptlets

* Wed Aug 02 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-6

- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild

* Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-5

- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild

* Mon May 15 2017 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.0.0-4

- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild

* Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-3

- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild

* Fri Oct 14 2016 Dominik Mierzejewski <rpm@greysector.net> - 3.0.0-2

- rebuild for openbabel-2.4.1

* Fri May  6 2016 Mamoru TASAKA <mtasaka@fedoraproject.org> - 3.0.0-1

- 3.0.0

* Sat Feb 20 2016 Dominik Mierzejewski <rpm@greysector.net> - 2.99.2-31

- Rebuild for openbabel

* Wed Feb 03 2016 Fedora Release Engineering <releng@fedoraproject.org> - 2.99.2-30

- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild

* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-29

- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild

* Sat May 02 2015 Kalev Lember <kalevlember@gmail.com> - 2.99.2-28

- Rebuilt for GCC 5 C++11 ABI change

* Wed Feb 25 2015 Dominik Mierzejewski <rpm@greysector.net> - 2.99.2-27

- rebuilt for openbabel-2.3.90

* Sat Aug 16 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-26

- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild

* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-25

- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild

* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-24

- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild

* Wed Feb 13 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-23

- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild

* Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-22

- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild

* Tue Feb 28 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-21

- Rebuilt for c++ ABI breakage

* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-20

- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild

* Tue Dec 06 2011 Adam Jackson <ajax@redhat.com> - 2.99.2-19

- Rebuild for new libpng

* Tue Feb 08 2011 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.2-18

- Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild

* Tue Nov 30 2010 Dominik Mierzejewski <rpm@greysector.net> 2.99.2-17

- rebuild for new openbabel

* Wed Sep 01 2010 Carl Byington <carl@five-ten-sg.com> 2.99.2-16

- add requires xorg-x11-fonts-ISO8859-1-100dpi to get courier 12 font

* 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