scholarly journals Sustainable Packaging of Quantum Chemistry Software with the Nix Package Manager

Author(s):  
Markus Kowalewski ◽  
Phillip Seeber

The installation of quantum chemistry software packages is commonly done manually and can be a time-consuming and complicated process. An update of the underlying Linux system requires a reinstallation in many cases and can quietly break software installed on the system. In this paper, we present an approach that allows for an easy installation of quantum chemistry software packages, which is also independent of operating system updates. The use of the Nix package manager allows building software in a reproducible manner, which allows for a reconstruction of the software for later reproduction of scientific results. The build recipes that are provided can be readily used by anyone to avoid complex installation procedures.

Author(s):  
Craig M. Howard

The overall size of software packages has grown considerably over recent years. Modular programming, object-oriented design and the use of static and dynamic libraries have all contributed towards the reusability and maintainability of these packages. One of the latest methodologies that aims to further improve software design is the use of component-based services. The Component Object Model (COM) is a specification that provides a standard for writing software components that are easily interoperable. The most common platform for component libraries is on Microsoft Windows, where COM objects are an integral part of the operating system and used extensively in most major applications. This chapter examines the use of COM in the design of search engines for knowledge discovery and data mining using modern heuristic techniques and how adopting this approach benefits the design of a commercial toolkit. The chapter describes how search engines have been implemented as COM objects and how representation and problem components have been created to solve rule induction problems in data mining.


2017 ◽  
Vol 68 (2) ◽  
pp. 87-98
Author(s):  
Martin Vojtko ◽  
Tibor Krajčovič

Abstract Each year manufacturers develop new processors. As a reaction to this continuous development, the developers of software have to adapt their software to those new processors. As a minimal requirement, the code of an operating system has to be changed to enable the execution of other user applications. This change is a complicated process during which incompatible parts of an operating system have to be redesigned and missing parts have to be implemented. Complications arise when there is a need to adapt an operating system to completely different processor architecture. In this paper we present a novel adaptation process that has preconditions to reduce the impact of these complications. This process uses a file for the formal description of a processor, which is also described in this paper. The formal description could act as a standard for processor manufacturers and could allow the generation of a platform dependent code of an operating system. This paper presents concepts, definitions and ideas of the adaptation process and shows possible solutions for an automatic generation of code parts of an operating system.


2015 ◽  
Vol 733 ◽  
pp. 740-744 ◽  
Author(s):  
Yi Zhang ◽  
Shi Chuan Xu

Compared with the traditional electric-powered wheelchair, people are paying more attention on intelligent wheelchair. While the traditional intelligent wheelchair relays on separate designed control system, it is not good for general use. In that case, ROS provides an easy to use framework for rapid system development so that the researchers can develop various software packages to meet their needs, and we can also call each other packages without considering the compatibility problems. In this paper, we present a ROS (Robot Operating System) based intelligent wheelchair with the function of voice-control navigation. Compared with the traditional navigation, the voice-control navigation is more human. Obviously, ROS increases the versatility of system and reduces the cost. In order to prove the advancement and feasibility of this developed system, some experimental results are given in the paper.


Author(s):  
V. E. Trofimov ◽  
A. L. Pavlov ◽  
Y. G. Mamykin

The article presents examples of the solution of the hydrodynamic problem that arises in the development of powerful electronic devices requiring liquid cooling using the CAD/CAE modeling method. The authors consider poorly documented or undocumented features of such solution based on the use of free software packages - SALOME, OpenFOAM and ParaView for the CAELinux operating system platform.


Author(s):  
Petr Mariel ◽  
David Hoyos ◽  
Jürgen Meyerhoff ◽  
Mikolaj Czajkowski ◽  
Thijs Dekker ◽  
...  

AbstractThis chapter describes and compares suitable software for the analysis of basic and advanced discrete choice models. Software packages are classified into proprietary and non-proprietary, according to the operating system required and modelling capabilities. Abilities of both selected commercial (Stata, SAS and Latent Gold, e.g.) and open-source packages (Biogeme and R-libraries) are considered. Finally, some user-written estimation packages for Gauss, Matlab, R and Stata are presented.


2018 ◽  
Author(s):  
Alexander Bowring ◽  
Camille Maumet ◽  
Thomas E. Nichols

AbstractA wealth of analysis tools are available to fMRI researchers in order to extract patterns of task variation and, ultimately, understand cognitive function. However, this ‘methodological plurality’ comes with a drawback. While conceptually similar, two different analysis pipelines applied on the same dataset may not produce the same scientific results. Differences in methods, implementations across software packages, and even operating systems or software versions all contribute to this variability. Consequently, attention in the field has recently been directed to reproducibility and data sharing. Neuroimaging is currently experiencing a surge in initiatives to improve research practices and ensure that all conclusions inferred from an fMRI study are replicable.In this work, our goal is to understand how choice of software package impacts on analysis results. We use publically shared data from three published task fMRI neuroimaging studies, reanalyzing each study using the three main neuroimaging software packages, AFNI, FSL and SPM, using parametric and nonparametric inference. We obtain all information on how to process, analyze, and model each dataset from the publications. We make quantitative and qualitative comparisons between our replications to gauge the scale of variability in our results and assess the fundamental differences between each software package. While qualitatively we find broad similarities between packages, we also discover marked differences, such as Dice similarity coefficients ranging from 0.000 - 0.743 in comparisons of thresholded statistic maps between software. We discuss the challenges involved in trying to reanalyse the published studies, and highlight our own efforts to make this research reproducible.


2018 ◽  
Vol 12 (12) ◽  
pp. 18 ◽  
Author(s):  
Fatima Aladwan ◽  
Ahmad Alzghoul ◽  
Emad Mohammed Mahmoud Ali ◽  
Hussam N. Fakhouri ◽  
Israa Alzghoul

AbstractService-Oriented Architecture (SOA) is a modular approach to software development based on the use of distributed, loose coupling replaceable components equipped with standardized interfaces for interaction over standardized protocols Component interfaces in a service-oriented architecture encapsulate the implementation details (operating system, platform, programming language) from the rest of the components, thereby enabling the combination and reuse of components to build complex distributed software packages, ensuring independence from the platforms and development tools used, facilitating scalability and manageability of the systems being created. In this paper we introduce a Service composition in service oriented architecture, it is present service composition with different approach used for composing services and provided.


Author(s):  
Saša Ljubojević ◽  
Zoran Ž. Avramović

This research paper presents organization of the business environment for work with geographic information systems (GIS) which are based on open source. The solution is completely open source: operating system, working environment and supporting apps. The architecture consists of: server, workstations, mobile devices and sensors. Software packages for each architecture segment will be displayed. The goal is to achieve a complete business environment for work with open source GIS, thus minimizing the costs of system development and maintenance. The illustrated example shows the possibility of applying GIS within a forestry company, in the field of wildfire monitoring and data collection and registering the possibility of wildfire occurrence using IoT.


2018 ◽  
Vol 188 ◽  
pp. 05011
Author(s):  
Ahmed Refaat Sobhy ◽  
Abeer Twakol Khalil ◽  
Mohamed M. Elfaham ◽  
Atalla Hashad

Unmanned aerial vehicle (UAV) which is a special case of mobile ad-hoc networks (MANETs) that attracts many researchers as it becomes a scope for both military and civilian applications. Also the trend of cloud computing when it is combined with UAV highlights this field of research in many aspects, but the most significant point of research is the operating system for the cloud. This paper investigates UAV cloud operating system showing the throughput (bits/Sec) for the system implemented when using both Windows and Linux operating systems in order to select the operating system used based on a real scientific results.


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