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File aten.spec of Package aten
# # spec file for package aten # # Copyright (c) 2017 SUSE LINUX GmbH, Nuernberg, Germany. # 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. # Please submit bugfixes or comments via http://bugs.opensuse.org/ # %define _sver 216 Name: aten Version: 2.1.6 Release: 0 Summary: Atomic configuration builder and editor License: GPL-2.0 Group: Productivity/Scientific/Chemistry Url: https://www.projectaten.com Source0: https://www.projectaten.com/user/pages/aten/download/_version%{_sver}/Source/%{name}-%{version}.tar.gz BuildRequires: Mesa-devel BuildRequires: gcc-c++ BuildRequires: pkgconfig BuildRequires: pkgconfig(Qt5Core) BuildRequires: pkgconfig(Qt5Gui) BuildRequires: pkgconfig(Qt5OpenGL) BuildRequires: pkgconfig(Qt5PrintSupport) BuildRequires: pkgconfig(Qt5Widgets) BuildRequires: pkgconfig(freetype2) BuildRequires: pkgconfig(ftgl) >= 2.0 BuildRequires: readline-devel %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 %build export CXXFLAGS="-std=c++11" %configure make %{?_smp_mflags} %install %make_install %files %defattr(-,root,root) %doc README TODO COPYING ChangeLog %{_bindir}/aten %{_datadir}/aten %{_datadir}/applications/Aten.desktop %{_datadir}/pixmaps/aten.png %{_libdir}/aten %changelog
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