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Software development for data reduction and analysis at large research facilities is increasingly professionalized, and internationally coordinated. To foster software quality and sustainability, and to facilitate collaboration, representatives from software groups of European neutron and muon facilities have agreed on a set of guidelines for development practices, infrastructure, and functional and non-functional product properties. These guidelines have been derived from actual practices in software projects from the EU funded consortium 'Science and Innovation with Neutrons in Europe in 2020' (SINE2020), and have been enriched through extensive literature review. Besides guiding the work of the professional software engineers in our computing groups, we hope to influence scientists who are willing to contribute their own data treatment software to our community. Moreover, this work may also provide inspiration to scientific software development beyond the neutron and muon field. [ABSTRACT FROM AUTHOR]

This paper describes salient features of the C++ programming language and its programming ecosystem, with emphasis on how the language affects scientific software development. Brief history of C++ and its predecessor the C language is provided. Most important aspects of the language that define models of programming are described in greater detail and illustrated with code examples. Special attention is paid to the interoperability between C++ and other high-level languages commonly used in cheminformatics, machine learning, data processing and statistical computing. [ABSTRACT FROM AUTHOR]

We analyzed the state of practice for software development in the seismology domain by comparing 30 software packages on four aspects: product, implementation, design, and process. We found room for improvement in most seismology software packages. The principal areas of concern include a lack of adequate requirements and design specification documents, a lack of test data to assess reliability, a lack of examples to get new users started, and a lack of technological tools to assist with managing the development process. To assist going forward, we provide recommendations for a document-driven development process that includes a problem statement, development plan, requirement specification, verification and validation (V&V) plan, design specification, code, V&V report, and a user manual. We also provide advice on tool use, including issue tracking, version control, code documentation, and testing tools. [ABSTRACT FROM AUTHOR]

Industrial ecology (IE) is a maturing scientific discipline. The field is becoming more data and computation intensive, which requires IE researchers to develop scientific software to tackle novel research questions. We review the current state of software programming and use in our field and find challenges regarding transparency, reproducibility, reusability, and ease of collaboration. Our response to that problem is fourfold: First, we propose how existing general principles for the development of good scientific software could be implemented in IE and related fields. Second, we argue that collaborating on open source software could make IE research more productive and increase its quality, and we present guidelines for the development and distribution of such software. Third, we call for stricter requirements regarding general access to the source code used to produce research results and scientific claims published in the IE literature. Fourth, we describe a set of open source modules for standard IE modeling tasks that represent our first attempt at turning our recommendations into practice. We introduce a Python toolbox for IE that includes the life cycle assessment (LCA) framework Brightway2, the ecospold2matrix module that parses unallocated data in ecospold format, the pySUT and pymrio modules for building and analyzing multiregion input-output models and supply and use tables, and the dynamic_stock_model class for dynamic stock modeling. Widespread use of open access software can, at the same time, increase quality, transparency, and reproducibility of IE research. [ABSTRACT FROM AUTHOR]

Cyberinfrastructures--scientific research environments that span multiple institutions--require careful crafting and collaboration among domain specialists and software engineers, but several factors impede this collaboration. Recognizing five rules of thumb can help facilitate successful cyberinfrastructure creation and accelerate science in the disciplines they support. [ABSTRACT FROM PUBLISHER]

In many scientific and engineering areas there are emerging software services available over the Web. The reason for deploying such services in the Cloud is either to reduce the operational costs or to support the peaks in their usage profiles. The algorithms employed in such services are usually result of a long term research and technology development work, so it is beneficial to reuse those critical application parts when developing new Cloud applications. This paper investigates the possibilities to introduce a Model Driven Architecture (MDA) for the Cloud computing domain, which would support composition, customization, flexibility, maintenance and reusability of Cloud application components in the particular case of scientific and engineering applications. The underlying middleware technology of choice is the mOSAIC Platform as a Service (PaaS) solution. This choice is motivated by the fact that in mOSAIC a Cloud application consists of loosely coupled components, which are either generic and provide for key resource types needed by an application (computation, storage, communication) or custom made, e.g. based on existing legacy software. The MDA approach is illustrated through the design and operation of an application for analysis of structures under static loading. It is shown that a relatively simple design can be used to address two application bottlenecks: the varying number of users and the computational complexity of the given problem. The design reduces the necessary application development efforts and the key components can be reused for similar applications. [ABSTRACT FROM AUTHOR]