Sustainable infrastructure for the improved usability and archivability of research software on the example of the porous-media-simulator Dumux

以多孔介质模拟器 Dumux 为例，提高研究软件的可用性和可存档性的可持续基础设施

• 批准号: 391049448
• 负责人: Dr. David Boehringer, since 3/2018
• 金额: --
• 依托单位: Technische Informations- und Kommunikationsdienste (TIK)
• 依托单位国家: 德国
• 项目类别: Research data and software (Scientific Library Services and Information Systems)
• 财政年份: 2018
• 资助国家: 德国
• 起止时间: 2017-12-31 至 2021-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/391049448?language=en
• 关键词: Sustainable; infrastructure; improved; usability; archivability

The primary objectives of the project are to improve the usability of the research software Dumux for first-time users, advanced users and developers, as well as to advance the archivability of Dumux-based code together with an ordinary publication such that the therein mentioned simulation results can be reproduced. These objectives are to be achieved in a sustainable manner by enhancing and using the well-established infrastructure services ViPlab (the virtual programming lab of the University of Stuttgart) and OPUS (the institutional publication repository of the University of Stuttgart) and by developing appropriate interfaces to and between these services. Since the developed components will not be bound exclusively to Dumux, they will help to reach our secondary objective of providing the necessary infrastructure to improve the usability and archivability of other research software projects.Dumux is a free and open-source simulator for flow and transport processes in porous media based on the Distributed and Unified Numerics Environment DUNE. It has been successfully applied to, for example, greenhouse gas and CO2 storage, radioactive waste disposal, environmental remediation problems, transport of therapeutic agents through biological tissue, fractured porous media, and subsurface-atmosphere coupling. Dumux is published under an open-source license for almost ten years. However, the usability of Dumux is limited due to a possibly cumbersome installation process and the fact that already rather basic adaptations of parameters usually require changing the C++ source code. Moreover, the archivability of code based on Dumux and the reproducibility of simulation results obtained with such a code is not supported currently.The usability of and accessibility to the Dumux research software and apps built on Dumux software will be improved from three perspectives. Firstly, this is the perspective of a scientific peer or other entities with scientific interests in the software accompanying a published article. Secondly, users of the Dumux research software, and thirdly, advanced Dumux users and developers. Containerized apps will ease access by developers and advanced users directly, and indirectly improve the usability as backend for the ViPLab frontend, and the archivability in the library database, being linked with research data or a published article. The ViPLab frontend will be integrated into the OPUS service to assure public access to research software and a highly configurable and well-documented Dumux application for demonstration and teaching purposes. OPUS will host the ViPLab plug-in and store application containers. We intend to simplify deploying a publication with accompanying code in a well-documented process. Thus, it will be possible to publish and conviently access publications with article, software, and associated research data, and even reproduce simulation results in an online interface.

该项目的主要目标是提高研究软件Dumux对首次用户、高级用户和开发人员的可用性，以及提高基于Dumux的代码与普通出版物的可存档性，以便可以再现其中提到的模拟结果。这些目标将通过加强和使用完善的基础设施服务ViPlab（斯图加特大学虚拟编程实验室）和OPUS（斯图加特大学机构出版物库）以及通过开发这些服务之间的适当接口，以可持续的方式实现。由于开发的组件将不会只绑定到Dumux，它们将有助于实现我们的第二个目标，即提供必要的基础设施，以提高其他研究软件项目的可用性和可存档性。Dumux是一个基于分布式和统一数值环境DUNE的多孔介质中流动和传输过程的免费开源模拟器。它已成功应用于温室气体和二氧化碳储存、放射性废物处置、环境修复问题、治疗剂通过生物组织、断裂多孔介质的运输以及地下-大气耦合等领域。Dumux在开源许可下发布了近十年。然而，Dumux的可用性是有限的，因为安装过程可能很麻烦，而且已经相当基本的参数调整通常需要更改C++源代码。此外，目前还不支持基于Dumux的代码的可存档性和使用这种代码获得的模拟结果的可再现性。Dumux研究软件和基于Dumux软件构建的应用程序的可用性和可访问性将从三个方面得到改善。首先，这是一个科学同行或其他实体的观点，对随附的已发表文章的软件有科学兴趣。第二，Dumux研究软件的用户，第三，先进的Dumux用户和开发人员。容器化的应用程序将直接方便开发人员和高级用户的访问，并间接提高ViPLab前端后端的可用性，以及图书馆数据库中的可存档性，与研究数据或已发表的文章相关联。ViPLab前端将被集成到OPUS服务中，以确保公众能够访问研究软件和高度可配置且记录良好的Dumux应用程序，用于演示和教学目的。OPUS将托管ViPLab插件并存储应用程序容器。我们打算在一个文档齐全的过程中简化发布的部署，并附带代码。因此，它将有可能发布和方便地访问出版物的文章，软件和相关的研究数据，甚至复制模拟结果在一个在线界面。