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At least 19 records

General MACOS Interface for Modeling and Analysis for Controlled Optical Systems

The General MACOS Interface (GMI) for Modeling and Analysis for Controlled Optical Systems (MACOS) enables the use of MATLAB as a front-end for JPL s critical optical modeling package, MACOS. MACOS is JPL s in-house optical modeling software, which has proven to be a superb tool for advanced systems engineering of optical systems. GMI, coupled with MACOS, allows for seamless interfacing with modeling tools from other disciplines to make possible integration of dynamics, structures, and thermal models with the addition of control systems for deformable optics and other actuated optics. This software package is designed as a tool for analysts to quickly and easily use MACOS without needing to be an expert at programming MACOS. The strength of MACOS is its ability to interface with various modeling/development platforms, allowing evaluation of system performance with thermal, mechanical, and optical modeling parameter variations. GMI provides an improved means for accessing selected key MACOS functionalities. The main objective of GMI is to marry the vast mathematical and graphical capabilities of MATLAB with the powerful optical analysis engine of MACOS, thereby providing a useful tool to anyone who can program in MATLAB. GMI also improves modeling efficiency by eliminating the need to write an interface function for each task/project, reducing error sources, speeding up user/modeling tasks, and making MACOS well suited for fast prototyping.

Sigrist, Norbert↗

MACOS Version 3.31

Version 3.31 of Modeling and Analysis for Controlled Optical Systems (MACOS) has been released. MACOS is an easy-to-use computer program for modeling and analyzing the behaviors of a variety of optical systems, including systems that have large, segmented apertures and are aligned with the technology of wavefront sensing and control. Two previous versions were described in "Improved Software for Modeling Controlled Optical Systems" (NPO-19841) NASA Tech Briefs, Vol. 21, No. 12 (December 1997), page 42 and "Optics Program Modified for Multithreaded Parallel Computing" (NPO-40572) NASA Tech Briefs, Vol. 30, No. 1 (January 2006) page 13a. The present version incorporates the following enhancements over prior versions: a) A powerful system-optimization facility includes algorithms for linear, nonlinear, unconstrained, and constrained optimization of optical systems under a variety of settings. b) There is now enhanced capability to perturb optical components individually and on subsystem levels, and to optimize system performance by adjusting selected individual components as well as subsystems. c) Capabilities for modeling a variety of new optical aperture types have been added. d) Effects of multilayer thin-film coats on optical surfaces can now be taken into account when tracing polarized rays. e) Major software-engineering work was performed to make MACOS more reliable, flexible, and manageable for purposes of maintenance and further development.

Redding, David↗

Integrated, Kerberized Login on MacOS X

Context for this information. MacOS X login process and available hooks. Authorization Services configuration. Authorization Services plug-in s. Kerberos plug-in s. Other bugs and recommendations. Authorization Services Called by loginwindow, screen saver and fast user switching. It calls Directory Services, Login Hook, and Login Items (System Preferences).

MacOSX↗

Optics Program Modified for Multithreaded Parallel Computing

A powerful high-performance computer program for simulating and analyzing adaptive and controlled optical systems has been developed by modifying the serial version of the Modeling and Analysis for Controlled Optical Systems (MACOS) program to impart capabilities for multithreaded parallel processing on computing systems ranging from supercomputers down to Symmetric Multiprocessing (SMP) personal computers. The modifications included the incorporation of OpenMP, a portable and widely supported application interface software, that can be used to explicitly add multithreaded parallelism to an application program under a shared-memory programming model. OpenMP was applied to parallelize ray-tracing calculations, one of the major computing components in MACOS. Multithreading is also used in the diffraction propagation of light in MACOS based on pthreads [POSIX Thread, (where "POSIX" signifies a portable operating system for UNIX)]. In tests of the parallelized version of MACOS, the speedup in ray-tracing calculations was found to be linear, or proportional to the number of processors, while the speedup in diffraction calculations ranged from 50 to 60 percent, depending on the type and number of processors. The parallelized version of MACOS is portable, and, to the user, its interface is basically the same as that of the original serial version of MACOS.

Lou, John↗

RxGen General Optical Model Prescription Generator

RxGen is a prescription generator for JPL's in-house optical modeling software package called MACOS (Modeling and Analysis for Controlled Optical Systems), which is an expert optical analysis software package focusing on modeling optics on dynamic structures, deformable optics, and controlled optics. The objectives of RxGen are to simplify and automate MACOS prescription generations, reducing errors associated with creating such optical prescriptions, and improving user efficiency without requiring MACOS proficiency. RxGen uses MATLAB (a high-level language and interactive environment developed by MathWorks) as the development and deployment platform, but RxGen can easily be ported to another optical modeling/analysis platform. Running RxGen within the modeling environment has the huge benefit that variations in optical models can be made an integral part of the modeling state. For instance, optical prescription parameters determined as external functional dependencies, optical variations by controlling the in-/exclusion of optical components like sub-systems, and/or controlling the state of all components. Combining the mentioned capabilities and flexibilities with RxGen's optical abstraction layer completely eliminates the hindering aspects for requiring proficiency in writing/editing MACOS prescriptions, allowing users to focus on the modeling aspects of optical systems, i.e., increasing productivity and efficiency. RxGen provides significant enhancements to MACOS and delivers a framework for fast prototyping as well as for developing very complex controlled optical systems.

Sigrist, Norbert↗

Docker Containers for MCNP ® Development

Containers are a revolutionary technology in software development and deployment that provides a lightweight, portable environment for ensuring consistency across multiple computing environments. In anticipation of the MCNP 6.3.1 release, two Docker container images have been released on DockerHub for general use. The MCNP source code is not included in the images, and users are still required to obtain it through RSICC. The images produced by Docker are compliant with the OCI (Open Container Initiative) standards, ensuring compatibility with other container engines such as Podman or Kubernetes’ CRI-O. Initially, the images are stored under the author’s personal space on DockerHub (docker.io/azukaitis), but they will be relocated to a dedicated MCNP group space once approved. In the future, they will also be available through the registry feature of the https://github.com/lanl/mcnp-containers project. The use of Docker provides a pre-configured environment for building and running MCNP, ensuring reproducibility of results across various host architectures. This significantly improves consistency when running MCNP on different systems. Notably, executables and installers from the Docker images have successfully passed the MCNP development branch testing suite on x86-64 architectures, including Windows, macOS, and Linux operating systems. Furthermore, testing has demonstrated compatibility with macOS Docker in emulation mode on the latest Apple Mac M2 Ultra hardware, ensuring robust support even on the latest platforms. In this document, we will provide a step-by-step guide to using the Docker images across multiple platforms. Additionally, we will present performance numbers for building and running the MCNP test suite.

97 MATHEMATICS AND COMPUTING↗

General Tool for Evaluating High-Contrast Coronagraphic Telescope Performance Error Budgets

The Coronagraph Performance Error Budget (CPEB) tool automates many of the key steps required to evaluate the scattered starlight contrast in the dark hole of a space-based coronagraph. The tool uses a Code V prescription of the optical train, and uses MATLAB programs to call ray-trace code that generates linear beam-walk and aberration sensitivity matrices for motions of the optical elements and line-of-sight pointing, with and without controlled fine-steering mirrors (FSMs). The sensitivity matrices are imported by macros into Excel 2007, where the error budget is evaluated. The user specifies the particular optics of interest, and chooses the quality of each optic from a predefined set of PSDs. The spreadsheet creates a nominal set of thermal and jitter motions, and combines that with the sensitivity matrices to generate an error budget for the system. CPEB also contains a combination of form and ActiveX controls with Visual Basic for Applications code to allow for user interaction in which the user can perform trade studies such as changing engineering requirements, and identifying and isolating stringent requirements. It contains summary tables and graphics that can be instantly used for reporting results in view graphs. The entire process to obtain a coronagraphic telescope performance error budget has been automated into three stages: conversion of optical prescription from Zemax or Code V to MACOS (in-house optical modeling and analysis tool), a linear models process, and an error budget tool process. The first process was improved by developing a MATLAB package based on the Class Constructor Method with a number of user-defined functions that allow the user to modify the MACOS optical prescription. The second process was modified by creating a MATLAB package that contains user-defined functions that automate the process. The user interfaces with the process by utilizing an initialization file where the user defines the parameters of the linear model computations. Other than this, the process is fully automated. The third process was developed based on the Terrestrial Planet Finder coronagraph Error Budget Tool, but was fully automated by using VBA code, form, and ActiveX controls.

Marchen, Luis F.↗

BAD2matrix: Phylogenomic matrix concatenation, indel coding, and more

Common steps in phylogenomic matrix production include biological sequence concatenation, morphological data concatenation, insertion/deletion (indel) coding, gene content (presence/absence) coding, removing uninformative characters for parsimony analysis, recording with reduced amino acid alphabets, and occupancy filtering. Existing software does not accomplish these tasks on a phylogenomic scale using a single program. BAD2matrix is a Python script that performs the above-mentioned steps in phylogenomic matrix construction for DNA or amino acid sequences as well as morphological data. The script works in UNIX-like environments (e.g., LINUX, MacOS, Windows Subsystem for LINUX).

59 BASIC BIOLOGICAL SCIENCES↗

LISE$^{++}_{cute}$, the latest generation of the LISE ++ package, to simulate rare isotope production with fragment-separators

The LISE ++ software for fragment separator simulations has undergone a major update. The package, widely used at rare isotope beam facilities, can be used to predict intensities and purities of rare isotope beams and for planning and running of experiments using in-flight separators. It is especially useful for radioactive beam production as its results can be quickly compared to on-line data. The LISE ++ package has been ported to the Qt-framework in order to support modern compilers and computing methods. The benefits include 64-bit operation and LISE ++ availability on three different platforms: Windows, MacOS and Linux. In addition, the porting provides the ability to take advantage of future computational improvements. The updated package is named LISE$^{++}_{cute}$ to indicate a major step forward from the previous Borland-based versions. In addition to porting to the new platform, new main features and modifications have been added, mostly devoted to improving models and implementing other codes involved in rare isotope production at FRIB. Finally, a summary of modifications completed to improve the functionality of the code are discussed in this work, as well as future plans.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

Thoroughly testing and integrating hundreds of Pull Requests per month: ROOT’s new Cost-efficient and Feature Rich GitHub-based CI

ROOT is an open source framework, freely available on GitHub, at the heart of data acquisition, processing and analysis of HE(N)P experiments, and beyond. It is developed collaboratively: contributions are not authored only by ROOT team members, but also by the user community at large: developers and scientists from universities, labs as well as the private sector. More than 1500 GitHub Pull Requests are merged on average per year. It is in this context that code integration acquires a primary role. The review of code contributions isn’t enough: not only they need to be thoroughly reviewed, they also need to be thoroughly tested through a powerful CI infrastructure on several different platforms to comply with the high code quality standards of the project. Since the end of 2023, ROOT moved its continuous integration system from Jenkins to GitHub Actions. In this contribution, we characterise the transition to the GitHub CI, focussing on our strategy, its implementation and the lessons learned, as well as the advantages the new system offers with respect to the previous one. Particular emphasis will be given to the evaluation of the cost-benefit ratio for Jenkins and GitHub Actions for the ROOT project. We also describe how we manage to run in less than one hour thousands of unit, integration, functional and end-to-end tests on different flavours of Windows, four versions of macOS, as well as about ten of the most used Linux distributions, taking advantage of the CERN computing infrastructure.

Piparo, Danilo [CERN]↗

CONSTAX2: improved taxonomic classification of environmental DNA markers

Abstract Summary CONSTAX—the CONSensus TAXonomy classifier—was developed for accurate and reproducible taxonomic annotation of fungal rDNA amplicon sequences and is based upon a consensus approach of RDP, SINTAX and UTAX algorithms. CONSTAX2 extends these features to classify prokaryotes as well as eukaryotes and incorporates BLAST-based classifiers to reduce classification errors. Additionally, CONSTAX2 implements a conda-installable command-line tool with improved classification metrics, faster training, multithreading support, capacity to incorporate external taxonomic databases and new isolate matching and high-level taxonomy tools, replete with documentation and example tutorials. Availability and implementation CONSTAX2 is available at https://github.com/liberjul/CONSTAXv2, and is packaged for Linux and MacOS from Bioconda with use under the MIT License. A tutorial and documentation are available at https://constax.readthedocs.io/en/latest/. Data and scripts associated with the manuscript are available at https://github.com/liberjul/CONSTAXv2_ms_code. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

AXEAP : a software package for X-ray emission data analysis using unsupervised machine learning

The Argonne X-ray Emission Analysis Package ( AXEAP ) has been developed to calibrate and process X-ray emission spectroscopy (XES) data collected with a two-dimensional (2D) position-sensitive detector. AXEAP is designed to convert a 2D XES image into an XES spectrum in real time using both calculations and unsupervised machine learning. AXEAP is capable of making this transformation at a rate similar to data collection, allowing real-time comparisons during data collection, reducing the amount of data stored from gigabyte-sized image files to kilobyte-sized text files. With a user-friendly interface, AXEAP includes data processing for non-resonant and resonant XES images from multiple edges and elements. AXEAP is written in MATLAB and can run on common operating systems, including Linux, Windows, and MacOS.

97 MATHEMATICS AND COMPUTING↗

ornladios/ADIOS2

ADIOS 2: The Adaptable Input Output (I/O) System version 2 is an open-source framework that addresses scientific data management challenges, e.g. scalable parallel I/O, as we approach the exascale era in high-performance computing (HPC). ADIOS 2 bindings are available in C++, C, Fortran, Python and can be used on supercomputers, personal computers, and cloud systems running on Linux, macOS and Windows. ADIOS 2 has out-of-the-box support for MPI and serial environments.

ECP↗

Scientific Core Library Stack (SCLS) v2026

SCLS (Scientific Core Library Stack) is an opinionated build and packaging system for scientific computing libraries developed at Lawrence Berkeley National Laboratory. It produces a coherent, reproducible stack of numerical libraries — including BLAS/LAPACK, MPI, sparse direct and iterative solvers, graph partitioners, and parallel I/O libraries (e.g., PETSc, SLEPc, HDF5, NetCDF, MUMPS, OpenBLAS) — that work together without manual repair by downstream scientific software. From a single recipe-and-flavor model, SCLS produces native RPM packages for RHEL-family Linux, DEB packages for Debian/Ubuntu, direct Unix-style prefix installs for HPC and locked-down environments, and native macOS builds. Multiple build "flavors" (e.g., GCC+OpenBLAS, GCC+MKL, Intel+MKL, debug) coexist in distinct prefixes on the same host. Compared to general-purpose meta-build frameworks, SCLS is deliberately curated rather than infinitely configurable. It enforces deterministic, audit-friendly behavior: explicit build dependencies, no silent feature autodetection, a clear open-source license policy, and rpath-based runtime linkage so installs integrate cleanly with standard package-manager workflows.

Messe, Christian [Lawrence Berkeley National Labor↗

From 2D to 4D: a containerized workflow and browser to explore dynamic chromatin architecture

Background Characterizing the physical organization of the genome is essential for understanding long-range gene regulation, chromatin compartmentalization, and epigenetic accessibility. Hi-C experiments generate two-dimensional (2D) genome-wide contact maps of chromatin interactions by capturing the spatial proximity between genomic loci, which reveal interaction frequencies but lack the spatial resolution needed to interpret the three-dimensional (3D) genome structure(s). Emerging evidence suggests that epigenetic regulation is closely linked to 3D genome architecture, and that structural changes over time (4D) drive key biological processes in development, disease, and environmental response. Thus, integrating 3D structure with functional data is critical for a more complete understanding of genome regulation. Previous work, most notably the 4DHiC chromosome modeling framework, has shown that physical multi-dimensional modeling approaches rooted in polymer physics and molecular dynamics can resolve these structures at biologically meaningful resolutions by integrating temporal Hi-C data with physical constraints to uncover dynamic chromosome reorganization. Thus, molecular dynamics simulations, constrained by Hi-C contact matrices, can resolve fine-scale structural changes and reveal functionally significant transitions in chromatin conformation. Results Herein, we present the 4D Genome Browser Workflow (4DGBWorkflow) and the 4D Genome Browser (4DGB). The algorithm is based on the 4DHiC method, and the containerized tool is an end-to-end workflow that can transform, filter, and view 4D epigenomics and chromatin datasets, allowing non-specialists to apply three-dimensional modeling principles to diverse datasets and experimental conditions. The software executes on a laptop running macOS, Linux or Windows. From input Hi-C files (.hic), the 4DGBWorkflow produces 3D reconstructions of chromosomes, integrates the reconstruction with track data (e.g., epigenetic marks, transcriptome profiles), and provides comparative visualization of the results in a single workflow. Conclusions The 4DGBWorkflow and 4D Genome Browser are open-source tools for comparative analysis and visualization of 4D chromosome datasets, including chromatin architecture and epigenomic signals. Automatic integration of Hi-C data with molecular dynamics democratizes the construction of time resolved 3D genome structures, simplifying complex simulations and data integration schemes.

3D Genome Browser↗

Data from: "Snowmelt Timing Regulates Community Composition, Phenology, and Physiological Performance of Alpine Plants"

This archive contains data that were used to support conclusions drawn in “Snowmelt Timing Regulates Community Composition, Phenology, and Physiological Performance of Alpine Plants”, by Winkler et al., 2018. Data were collected throughout the 2009 growing season on Niwot Ridge, Colorado, before the site became part of the Alpine Treeline Warming Experiment (ATWE). Geospatial files are included in this archive to provide additional locational context. The files in this data package consist of five comma-separated-values (.csv) files, one keyhole markup language (.kml) file, and two ESRI shapefiles (.shp). The .csv files can be opened by Microsoft Excel, R, or any simple text-editor software, such as TextEdit (MacOS) or Notepad (Windows). The .kml files can be opened by Google Maps or Google Earth, and the .shp files are compatible with GIS softwares such as ESRI’s ArcGIS suite, and QGIS.------------------------------------------------------------------------------------------------------------------------------------------------------------------------------We asked how plant community composition, phenology, plant water relations, and photosynthetic gas exchange of alpine-restricted and wide-ranging species differ in their responses to a ca. 40-day snowmelt gradient in the Colorado Rocky mountains (Lewisia pygmaea, Sibbaldia procumbens, and Hymenoxys grandiflora were alpine-restricted and Artemisia scopulorum, Carex rupestris, and Geum rossii were wide-ranging species). To do this, we measured percent cover and flowering initiation across 20 plots varying in snowmelt timing and measured net photosynthesis and stomatal conductance in multiple individuals of each target species in these plots in 2009.As hypothesized, species richness and foliar cover increased with earlier snowmelt, due to a greater abundance of wide-ranging species present in earlier melting plots. Flowering initiation occurred earlier with earlier snowmelt for 12 out of 19 species analyzed, while flowering duration was shortened with later snowmelt for six species (all but one were wide ranging species). We observed >50% declines in net photosynthesis from July to September as soil moisture and plant water potentials declined. Early-season stomatal conductance was higher in wide-ranging species, indicating a more competitive strategy for water acquisition when soil moisture is high. Even so, there were no associated differences in photosynthesis or transpiration, suggesting no strong differences between these groups in physiology.

54 ENVIRONMENTAL SCIENCES↗

Blodgett 13C–labeled litter incubation 2016-2019

The dataset is from 13C-labelled (stable isotope of carbon) root-litter in-situ field incubation experiment based on the whole-soil warming experiment at the Blodgett Forest Research Station, CA, USA. The files are in both ".csv" and ".xlsx" versions, and can be opened in "maCOS numbers", and "Microsoft Excel". The files includes several sheets with all the data published in the paper: Sun, B., Zosso, C., Wiesenberg, G. L. B., Pegoraro, E., Torn, M. S., and Schmidt, M. W. I.: Warming accelerates the decomposition of root-derived hydrolysable lipids in a temperate forest and is depth- and compound class-dependent, SOIL, 11, 1077–1093, https://doi.org/10.5194/soil-11-1077-2025, 2025. This dataset includes bulk soil carbon, nitrogen, delta 13C values, the normalized concentration (to organic carbon) of hydrolysable lipids identified, the absolute concentration (normalized to bulk soil) of hydrolysable lipids, hydrolysable lipids recovery, and weighted 13C-excess of bulk soil carbon, and weighted 13C-excess of each compound class in hydrolysable lipids. These data aim to answer two research questions: 1) How will warming affect the decomposition of 13C-labelled root-litter at different depth? 2) Will the decomposition of root-derived hydrolysable lipids under warming differ among different compound classes? The experiment sites located on the foothills of the Sierra Nevada near Georgetown, CA (120°3904000W; 38°5404300 N) at 1370m above see level. The Blodgett Forest is a mixed-coniferous forest. The site has a Mediterranean climate with a mean annual air temperature of 12.5 °C and a mean annual precipitation of 1774mm.

54 ENVIRONMENTAL SCIENCES↗