File ghemical.spec of Package ghemical

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File ghemical.spec of Package ghemical (Revision 54e5576ca19054798585fc95e28910f1)

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#
# spec file for package ghemical
#
# This file and all modifications and additions to the pristine
# package are under the same license as the package itself.
#

Name:           ghemical
Summary:        The MM and QM calculations frontend.
Version:        2.98
Release:        1
License:        GPL
Group:          Productivity/Scientific/ChemistryApplications/Chemistry
Url:            http://www.uku.fi/~thassine/ghemical/
Vendor:         openSUSE-Education
#BuildRequires:  libg2c33
BuildRequires:  gtkglarea-devel
BuildRequires:  gcc-fortran
BuildRequires:  gcc-c++
BuildRequires:  pkg-config
BuildRequires:  gtkglext-devel
BuildRequires:  freeglut-devel
BuildRequires:  glib2-devel
BuildRequires:  gtk2-devel
BuildRequires:  libglade2-devel
%if %suse_version >= 1100
BuildRequires:  libgthread-2_0-0
%endif
BuildRequires:  libghemical-devel
BuildRequires:  liboglappth-devel
BuildRequires:  libopenbabel-devel
BuildRequires:  f2c
BuildRequires:  glibc-devel
BuildRequires:  Mesa-devel
Source:         %{name}-%{version}.tar.bz2
Patch0:         ghemical-2.98_include.patch
BuildRoot:      %{_tmppath}/%{name}-%{version}-build

%description
Ghemical is a computational chemistry software package released under the 
GNU GPL.

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.

Author(s):
----------
    Tommi Hassinen
    Geoff Hutchison
    Michael Banck
    Jean Brefort

%prep
%setup -q
%patch0 -p1
find . -type d -name CVS -print0 | xargs -0 rm -rf {} \;

%build
%configure --enable-openbabel
make %{?jobs:-j%jobs}

%install
%makeinstall
#nstall -d $RPM_BUILD_ROOT%prefix/bin/
#nstall -d $RPM_BUILD_ROOT%prefix/share/%{name}/%{version}/parameters/{builder,mm2param,mm1param/stable,mm1param/unstable}
#nstall -d $RPM_BUILD_ROOT%prefix/share/%{name}/%{version}/glade
#nstall -d $RPM_BUILD_ROOT/usr/share/doc/%{name}-%{version}/examples
#nstall -d $RPM_BUILD_ROOT/usr/share/gnome/help/%{name}/C
#nstall -d $RPM_BUILD_ROOT/usr/share/gnome/help/%{name}/C/images
#nstall -m 755 -s bin/ghemical $RPM_BUILD_ROOT%prefix/bin
#p -p -R bin/examples/* $RPM_BUILD_ROOT/usr/share/doc/%{name}-%{version}/examples
#p -p -R bin/user-docs/*.html $RPM_BUILD_ROOT/usr/share/gnome/help/%{name}/C
#p -p -R bin/user-docs/images/*.png $RPM_BUILD_ROOT/usr/share/gnome/help/%{name}/C/images
#p -p -R openbabel/*.txt  $RPM_BUILD_ROOT%prefix/share/%{name}/%{version}
#p -p -R bin/parameters  $RPM_BUILD_ROOT%prefix/share/%{name}/%{version}
#p -p src/target3/glade/*.glade  $RPM_BUILD_ROOT%prefix/share/%{name}/%{version}/glade
# remove CVS directories:

%files
%defattr(-,root,root)
%doc /usr/share/doc/%{name}-%{version}
%doc /usr/share/gnome/help/%{name}
%prefix/bin/ghemical
%prefix/share/%{name}

%clean
rm -rf $RPM_BUILD_ROOT

%changelog

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File ghemical.spec of Package ghemical (Revision 54e5576ca19054798585fc95e28910f1)

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