Related papers: Modernizing the ESRF beamline application software…
We consider different approaches to simulate a modern X-ray beamline. Several methodologies with increasing complexity are applied to discuss the relevant parameters that quantify the beamline performance. Parameters such as flux,…
he ESRF control system is in the process of being modernised. The present contrsystem is based on VME, 10 MHz Ethernet, OS9, Solaris, HP-UX, NFS/RPC, Motif and C. The new control system will be based on compact PCI, 100 MHz Ethernet, Linux,…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of…
PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the development of new methodology and complex computational workflows.…
The Fermilab Accelerator Division, Instrumentation Department is adopting an open-source framework to replace our embedded VME-based data acquisition systems. Utilizing an iterative methodology, we first moved to embedded Linux, removing…
This paper discusses the design and implementation of a Python-based toolset to aid in assessing the response of the UK's Advanced Gas Reactor nuclear power stations to earthquakes. The seismic analyses themselves are carried out with a…
This article presents a high-throughput computer program, called EasyDD, for batch processing, analyzing and visualizing of spectral data; particularly those related to the new generation of synchrotron detectors and X-ray powder…
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major…
The Kieker observability framework is a tool that provides users with the means to design a custom observability pipeline for their application. Originally tailored for Java, supporting Python with Kieker is worthwhile. Python's popularity…
Software Product Line Engineering enables systematic reuse across families of related software intensive systems. This survey synthesises key SPLE foundations, lifecycle concepts, adoption models, tooling and AI era challenges. Based on a…
The advent of modern data processing has led to an increasing tendency towards interdisciplinarity, which frequently involves the importation of different technical approaches. Consequently, there is an urgent need for a unified data…
This paper presents a SysML-based approach to enhance functional and software development process within an industrial context. The recent changes in technology such as electromobility and increased automation in heavy construction…
We present a new version of the FIT3D and Pipe3D codes, two packages to derive properties of the stellar populations and the ionized emission lines from optical spectroscopy and integral field spectroscopy data respectively. The new codes…
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing an extendable and flexible interface. The open-source idea…
We classify and review current approaches to software infrastructure for research, development and delivery of NLP systems. The task is motivated by a discussion of current trends in the field of NLP and Language Engineering. We describe a…
Python is a popular high-level general-purpose programming language also heavily used by the scientific community. It supports a variety of different programming paradigms and is preferred by many for its ease of use. With the vision of…
The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…
pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…
In this article we report the release of a new program for batch processing and visualization of powder diffraction data. The program, which is free-of-charge for non-commercial use and can be obtained with its detailed documentation from…