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File aten.spec of Package aten (Revision 5b98197b4a1cee1e4a0a852d97f9f247)

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#
# spec file for package aten
#
# Copyright (c) 2012 by Lars Vogdt
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
# upon. The license for this file, and modifications and additions to the
# file, is the same license as for the pristine package itself (unless the
# license for the pristine package is not an Open Source License, in which
# case the license is the MIT License). An "Open Source License" is a
# license that conforms to the Open Source Definition (Version 1.9)
# published by the Open Source Initiative.

Name:           aten
Version:        1.7
Release:        1
License:        GPL-2.0
Summary:        Atomic configuration builder and editor
Url:            http://www.projectaten.net
Group:          Productivity/Scientific/Chemistry
Source0:        %name-%version.tar.bz2
Patch1:         aten-1.7-stringcompare.patch
BuildRoot:      %{_tmppath}/%{name}-%{version}-build
BuildRequires: gcc-c++
%if 0%{?suse_version}
BuildRequires:  Mesa-devel
BuildRequires:  libqt4-devel
BuildRequires:  readline-devel
%endif

# For RedHat-based distros, libqt4 = qt4, and libqt4-devel = qt4-devel
%if 0%{?fedora_version} || 0%{?rhel_version} || 0%{?centos_version}
BuildRequires:  Mesa-devel
BuildRequires:  qt4-devel
BuildRequires:  readline-devel
%endif

# For Mandriva Linux
%if 0%{?mandriva_version} > 2006
BuildRequires:  mesa-common-devel
BuildRequires:  qt4-devel
BuildRequires:  readline-devel
%endif

%description
Aten provides a clean graphical user interface allowing the intuitive editing
and creation of input coordinates for computational chemistry / physics codes.
It allows periodic (i.e. condensed) and non-periodic (i.e. gas-phase) models
and systems to be created either from scratch or from existing coordinate files.
Molecular mechanics forcefields of standard functional forms may be loaded and
used to minimise existing systems or create (through Monte Carlo techniques)
new multi-component configurations. Periodic systems may be stretched, scaled,
and repeated, and symmetry operators applied. Molecular dynamics trajectories
may be loaded, viewed, frames edited, and properties calculated.

%prep
%setup -q
%patch1 -p1

# For the build, RedHat distros seem to need the path to the Qt4 binaries set explicitly. SuSE is fine.
%build
export LIBS="$LIBS -lGL"
%configure \
%if 0%{?mandriva_version}
	--with-qtmoc=%{qt4bin}/moc \
	--with-qtrcc=%{qt4bin}/rcc \
	--with-qtuic=%{qt4bin}/uic
%endif
%if 0%{?fedora_version}
	--with-qtmoc=moc-qt4 \
	--with-qtrcc=rcc \
	--with-qtuic=uic-qt4
%endif
%if 0%{?rhel_version} || 0%{?centos_version}
	--with-qtmoc=%{_libdir}/qt4/bin/moc \
	--with-qtrcc=%{_libdir}/qt4/bin/rcc \
	--with-qtuic=%{_libdir}/qt4/bin/uic
%endif

%{__make}  %{?_smp_mflags}

%install
%{__make} DESTDIR=%{buildroot} install

%clean
%{__rm} -rf %{buildroot}

%files
%defattr(-,root,root)
%doc README TODO COPYING ChangeLog
%{_datadir}/applications/Aten.desktop
%{_bindir}/aten
%{_datadir}/aten

%changelog

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File aten.spec of Package aten (Revision 5b98197b4a1cee1e4a0a852d97f9f247)

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