Debian Science Numerical Computation packages

Zurzeit liest ADMesh nur Dateien im STL-Format, welches in »rapid prototyping«-Applikationen genutzt wird. Als Ausgabeformate stehen STL, VRML, OFF und DXF zur Verfügung. Hauptmerkmale sind: Auffüllen von Löchern im Drahtgitter, Reparieren von Facetten durch Verbinden mit benachbarten Facetten, Reparieren der Richtungen von Normalen (Punkte sollten gegen den Uhrzeigersinn aufgeführt sein) und Entfernen von entarteten Facetten (z.B. mit mehr als 2 gleichen Eckpunkten).

algotutor ist ein interaktives Programm zum Überwachen der Zwischenschritte von Algorithmen (»Algorithmusanimation«). Die Zielgruppe sind Informatikstudenten und/oder alle, die Algorithmen und/oder Datenstrukturen studieren. Man kann Datendateien in einem Klartextformat (eigentlich anonyme Hashes in Perl, aber darum muss man sich nicht kümmern) erstellen und algotutor führt einige vordefinierte Algorithmen aus. Danach kann man durch die Ausführungssequenz des Algorithmus auf verschiedenen Detailebenen Schritte vor und zurück machen.

CalculiX is a free and open source finite element analysis application that uses a similar input format to Abaqus. It has an implicit and explicit solver and a pre and post processor (CGX). This package contains the solver CalculiX CrunchiX (cxx).

CalculiX GraphiX (cgx) is a 3-dimensional pre- and post-processor for finite elemnts. CalculiX CrunchiX Finite Element Models can be build, calculated and post-processed. The pre- and post-processor is an interactive 3D-tool using the openGL API.

In addition to the Calculix CrunchiX results files (frd) results from OpenFoam, Duns (2D and 3D), Isaac (2D and 3D) and Nastran (f06) can be read. For preprocessing Netgen nativ format, STEP and STL can be imported.

Cbc (Coin-or branch and cut) is an open-source mixed integer programming solver written in C++. It can be used as a callable library or as a stand-alone executable.

This package contains cbc executable.

Clp (Coin-or linear programming) is an open-source linear programming solver written in C++. It is primarily meant to be used as a callable library, but a basic, stand-alone executable version is also available. It is designed to find solutions of constrained linear mathematical optimization problems.

This package contains the clp executable.

SYMPHONY is an open-source generic mixed-integer linear programs (MILP) solver, callable library, and extensible framework for implementing customized solvers SYMPHONY has a number of advanced capabilities, including the ability to solve multi-objective MILPs, the ability to warm start its solution procedure, and the ability to perform basic sensitivity analyses.

SYMPHONY is part of the larger COIN-OR initiative (Computational Infrastructure for Operations Research).

This package contains the symphony executable.

ESyS-Particle is Open Source software for particle-based numerical modelling. The software implements the Discrete Element Method (DEM), a widely used technique for modelling processes involving large deformations, granular flow and/or fragmentation. ESyS-Particle is designed for execution on parallel supercomputers, clusters or multi-core PCs running a Linux-based operating system. The C++ simulation engine implements spatial domain decomposition via the Message Passing Interface (MPI). A Python wrapper API provides flexibility in the design of numerical models, specification of modelling parameters and contact logic, and analysis of simulation data. ESyS-Particle has been utilised to simulate earthquake nucleation, comminution in shear cells, silo flow, rock fragmentation, and fault gouge evolution, to name but a few applications.

FreeMat ist eine freie Umgebung zum schnellen Entwickeln, Erstellen von wissenschaftlichen Prototypen sowie zur Datenverarbeitung. Es ist mit kommerziellen Systemen wie MATLAB von Mathworks und IDL von Research Systems vergleichbar, aber es ist Open Source. FreeMat ist unter der GPL-Lizenz verfügbar.

GNU Data Language (GDL) is a free IDL (Interactive Data Language) compatible incremental compiler. It has full syntax compatibility with IDL 7.1. IDL is a registered trademark of ITT Visual Information Solutions. From IDL 8.0, the following language elements are supported:

• FOREACH loop
• negative array indices
• garbage collection pointers and objects
• call methods on an object using "." (e. g. object.aMemberProcedure,arg1)

The file input output system is fully implemented. GUI support (widgets) is officially provided, but it's not complete yet.

This package contains the main commandline and interpreter frontend.

Pyzo is a cross-platform Python IDE focused on interactivity and introspection, which makes it very suitable for scientific computing. Its practical design is aimed at simplicity and efficiency.

It consists of two main components, the editor and the shell, and uses a set of pluggable tools to help the programmer in various ways. Some example tools are source structure, project manager, interactive help, workspace...

Pyzo is written in (pure) Python 3 and uses the Qt GUI toolkit. Binaries are provided for all major operating system. After installing Pyzo, it can be used to execute code on any Python version available on your system (Python 2.4 - 3.x, including Pypy).

This is a transitional dummy package enabling the upgrade from IEP to Pyzo. It can safely be removed.

IPython kann als Ersatz zur Python-Standardshell oder, falls sie zusammen mit den wissenschaftlichen und numerischen Python-Werkzeugen genutzt wird, als vollständige Arbeitsumgebung für wissenschaftliches Rechnen (wie Matlab oder Mathematica) benutzt werden. Sie unterstützt dynamische Objektintrospektionen, nummerierte Eingabe-/Ausgabeprompts, ein Makrosystem, Protokollierung und Wiederherstellung von Sitzungen, vollständigen Shellzugriff auf das System, umfangreiche und farbige Traceback-Berichte, automatische Klammerung, automatische Anführungszeichen. Außerdem kann sie in andere Python-Programme integriert werden.

Dieses Paket enthält die eigentliche Terminal-Shell für Python 3.

Julia ist eine leistungsstarke, dynamische höhere Programmiersprache für technische Berechnungen mit einer Syntax, die Benutzern von anderen Umgebungen für technische Berechnungen vertraut sein wird. Sie stellt einen fortgeschrittenen Compiler, verteilte parallele Ausführungen, numerische Genauigkeit und eine umfangreiche Bibliothek für mathematische Funktionen bereit. Die Bibliothek, hauptsächlich in Julia geschrieben, integriert außerdem reife, ausgeklügeltsten C- und Fortran-Bibliotheken für lineare Algebra, Zufallszahlengeneration, FFTs und String-Verarbeitung. Julia-Programme werden um das Definieren von Funktionen und Überladen dieser Funktionen für verschiedene Kombinationen an Argumenttypen (die auch benutzerdefiniert sein können) organisiert.

Dieses Paket stellt eine vollständige Julia-Installation bereit (JIT-Compiler, Standardbibliothek, textbasierte Benutzerschnittstelle).

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.

LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.

The ADOLC system automatically calculates exact derivatives of a C/C++ function. It uses C++ overloading to record arithmetic operations, which it plays back later in various ways to calculate the requested values.

This package contains the development library, header files, and user's manual.

Ceres Solver is an open source C++ library for modeling and solving large, complicated optimization problems. It is a feature rich, mature and performant library which has been used in production at Google since 2010.

Ceres Solver can solve two kinds of problems.

• Non-linear Least Squares problems with bounds constraints.
• General unconstrained optimization problems.

This package contains the development header files.

This library provides an implementation of the Basic Linear Algebra Subprograms levels 1, 2 and 3, using OpenCL and optimized for AMD GPU hardware.

This package provides the development files.

The clFFT library is an open source OpenCL library implementation of discrete Fast Fourier Transforms, which:

• Provides a fast and accurate platform for calculating discrete FFTs.
• Works on CPU or GPU backends.
• Supports in-place or out-of-place transforms.
• Supports 1D, 2D, and 3D transforms with a batch size that can be greater than 1.
• Supports planar (real and complex components in separate arrays) and interleaved (real and complex components as a pair contiguous in memory) formats.
• Supports dimension lengths that can be any mix of powers of 2, 3, and 5.
• Supports single and double precision floating point formats.

This package provides the development files.

ColPack is a package comprising of implementation of algorithms for specialized vertex coloring problems that arise in sparse derivative computation. It is written in an object-oriented fashion heavily using the Standard Template Library (STL). It is designed to be simple, modular, extenable and efficient. Its primary application has been for use in automatic differentiation.

This package contains the development library, header files, and documentation.

DUNE, the Distributed and Unified Numerics Environment is a modular toolbox for solving partial differential equations (PDEs) with grid-based methods. It supports the easy implementation of methods like Finite Elements (FE), Finite Volumes (FV), and also Finite Differences (FD).

This package contains the development files for the grid interface.

Die Parma Polyhedra Library (PPL) ist eine C++-Bibliothek für die Manipulation von (nicht unbedingt geschlossenen) konvexen Polyedern und anderen numerischen Abstraktionen. Die Anwendungen umfassen die Analyse von Programmen, optimierte Programmübersetzung, kombinatorische und lineare Optimierung und statistische Datenbearbeitung. Die Parma-Polyhedra-Bibliothek ist benutzerfreundlich (Sie schreiben » x + 2 * y + 5 * z <= 7 «, wenn Sie es meinen), vollständig dynamisch (nur der verfügbare virtuelle Speicher beschränkt die Dimension von etwas), geschrieben in Standard-C++, fängt Programmausnahmen ab, ziemlich effizient und sorgfältig dokumentiert.

Dieses Paket enthält die Header-Dateien und statischen Bibliotheken für die C- und C++-Schnittstellen.

QSopt-ex is an implementation of a simplex-based algorithm that returns exact rational solutions, taking advantage of the speed of floating-point calculations and attempting to minimize the operations performed in rational arithmetic.

This package contains the header files and static library.

This is a library for sparse matrix computations featuring the Recursive Sparse Blocks (RSB) matrix format. This format allows cache efficient and multi-threaded (that is, shared memory parallel) operations on large sparse matrices. It provides the most common operations necessary to iterative solvers, like matrix-vector multiplication, triangular solution, rows/columns scaling, diagonal extraction / setting, blocks extraction, norm computation, formats conversion. The RSB format is especially well suited for symmetric and transposed multiplication variants.

This package contains the static libraries for development with librsb, including examples.

SLEEF stands for SIMD Library for Evaluating Elementary Functions. It implements vectorized versions of all C99 real floating point math functions. It can utilize SIMD instructions of modern processors. SLEEF is designed to fully utilize SIMD computation by reducing the use of conditional branches and scatter/gather memory access.

The library contains subroutines for all C99 real FP math functions in double precision and single precision. SLEEF also includes subroutines for discrete Fourier transform(DFT).

This package ships development files.

Suitesparse is a collection of libraries for computations involving sparse matrices. This package includes the following libraries:

AMD approximate minimum degree ordering

CAMD symmetric approximate minimum degree

BTF permutation to block triangular form (beta)

COLAMD column approximate minimum degree ordering

CCOLAMD constrained column approximate minimum degree ordering

CHOLMOD sparse Cholesky factorization

CXSparse a concise sparse matrix package

KLU sparse LU factorization, primarily for circuit simulation

LDL a simple LDL' factorization

UMFPACK sparse LU factorization

ParU unsymmetric multifrontal multithreaded sparse LU factorization

RBio read/write sparse matrices in Rutherford/Boeing format

SPQR sparse QR factorization

Mongoose graph partitioning library that can quickly compute edge cuts

SPEX solves sparse linear systems in exact arithmetic

SuiteSparse_config configuration routines for all the above packages.

This package contains the static libraries and header files.

This package contains all development files necessary to build applications using SUNDIALS (SUite of Nonlinear and DIfferential/ALgebraic equation Solvers). All examples and documentation links live in this package as well.

TooN is a C++ numerics library which is designed to operate efficiently on large numbers of small matrices, and provides easy access to a number of algorithms including matrix decompositions and optimizations.

TooN is type generic and works well with a variety of numeric types including double, float and automatic differentiation types.

It is designed to integrate very will with the libCVD computer vision library and GVars3 configuration library.

TooN is a C++ numerics library which is designed to operate efficiently on large numbers of small matrices, and provides easy access to a number of algorithms including matrix decompositions and optimizations.

TooN is type generic and works well with a variety of numeric types including double, float and automatic differentiation types.

It is designed to integrate very will with the libCVD computer vision library and GVars3 configuration library.

TaG is the TooN Algorithm Library, it contains a mixed bag of algorithms including estimation, 3D geoometry and standard library enhancements.

LIGGGHTS stands for LAMMPS improved for general granular and granular heat transfer simulations.

LAMMPS is a classical molecular dynamics simulator. It is widely used in the field of Molecular Dynamics. Thanks to physical and algorithmic analogies, LAMMPS is a very good platform for DEM simulations. LAMMPS offers a GRANULAR package to perform these kind of simulations. LIGGGHTS aims to improve those capability with the goal to apply it to industrial applications. Development version.

METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes. The package contains some binaries for graph analyzing.

Octave ist eine (zum größten Teil zu MATLAB® kompatible) höhere Programmiersprache, die hauptsächlich für numerische Berechnungen gedacht ist. Sie stellt eine komfortable Kommandozeilenschnittstelle zur numerischen Lösung linearer und nichtlinearer Probleme bereit.

Octave kann dynamisch mittels vom Anwender bereitgestellter C++-Dateien erweitert werden.

PDL gives standard perl the ability to COMPACTLY store and SPEEDILY manipulate the large N-dimensional data arrays which are the bread and butter of scientific computing. The idea is to turn perl in to a free, array-oriented, numerical language in the same sense as commercial packages like IDL and MatLab. One can write simple perl expressions to manipulate entire numerical arrays all at once. For example, using PDL the perl variable $a can hold a 1024x1024 floating point image, it only takes 4Mb of memory to store it and expressions like $a=sqrt($a)+2 would manipulate the whole image in a few seconds.

A simple interactive shell (perldl) is provided for command line use together with a module (PDL) for use in perl scripts.

Psurface is a C++ library that handles piecewise linear bijections between triangulated surfaces. These surfaces can be of arbitrary shape and need not even be manifolds.

This package contains several utilities for working with psurface.

Bitstring is a pure Python module designed to help make the creation and analysis of binary data as simple and natural as possible.

Bitstrings can be constructed from integers (big and little endian), hex, octal, binary, strings or files. They can be sliced, joined, reversed, inserted into, overwritten, etc. with simple functions or slice notation. They can also be read from, searched and replaced, and navigated in, similar to a file or stream.

This package provides the Python 3 version of the module.

The CSA library provides elementary connection-sets and operators for combining them. It also provides an iteration interface to such connection-sets enabling efficient iteration over existing connections with a small memory footprint also for very large networks. The CSA can be used as a component of neuronal network simulators or other tools.

DEAP ist ein neuartiges evolutionäres rechnergestütztes Rahmenwerk für Rapid Prototyping und zum Testen von Ideen. Es versucht Algorithmen klar zu formulieren und Datenstrukturen transparent zu machen. Es arbeitet in perfekter Harmonie mit Parallelisierungsmechanismen wie Multiprocessing und SCOOP.

Dieses Paket enthält die Module für Python3.

Escript ist ein Programmierwerkzeug zur Implementierung mathematischer Modelle in Python mithilfe der Finite-Elemente-Methode (FEM). Da Benutzer nicht auf die Datenstrukturen zugreifen, ist die Verwendung sehr einfach und Skripte können ohne Änderungen auf Desktop-Computern sowie hochparallelen Supercomputern ausgeführt werden. Anwendungsgebiete für escript sind Erdmantelkonvektion, geophysikalische Inversion, Erdbeben, Fluss poröser Medien, reaktiver Transport, Plattensubduktion, Erosion und Tsunamis.

Skripte können ohne besondere Änderungen parallel (auf einer wechselnden Anzahl von Threads oder Knoten) ausgeführt werden.

Escript enthält jetzt das Modul esys.downunder für die 3D-Inversion von geophysikalischen Datensätzen. Die aktuelle Version unterstützt die Schwerkraft-, Magnet- und »joint«-Inversion.

Dieses Paket enthält die Befehle und Bibliotheken für Python3 mit OpenMP-Threading und MPI-Multiprozess-Unterstützung.

Escript is a programming tool for implementing mathematical models in Python using the finite element method (FEM). Because users do not access the data structures it is very easy to use and scripts can run on desktop computers as well as highly parallel supercomputer without changes. Application areas for escript include earth mantle convection, geophysical inversion, earthquakes, porous media flow, reactive transport, plate subduction, erosion, and tsunamis.

Scripts can be executed in parallel (on varying numbers of threads or nodes) without any special modifications.

Escript now includes the esys.downunder module for 3D inversion of geophysical data sets. The current version supports gravity, magnetic and joint inversion.

This package contains the commands and libraries for Python3 with both OpenMP threading and MPI multiprocess support.

The guiqwt Python library provides efficient 2D data-plotting features (curve/image visualization and related tools) for signal/image processing application development and interactive computing. It's based on the scientific modules NumPy and SciPy, and the PyQwt plotting widgets for PyQt4 graphical user interfaces.

This is the Python 3 version of the package.

The lmfit Python package provides a simple, flexible interface to non-linear optimization or curve fitting problems. The package extends the optimization capabilities of scipy.optimize by replacing floating pointing values for the variables to be optimized with Parameter objects. These Parameters can be fixed or varied, have upper and/or lower bounds placed on its value, or written as an algebraic expression of other Parameters.

The principal advantage of using Parameters instead of simple variables is that the objective function does not have to be rewritten to reflect every change of what is varied in the fit, or what relationships or constraints are placed on the Parameters. This means a scientific programmer can write a general model that encapsulates the phenomenon to be optimized, and then allow user of that model to change what is varied and fixed, what range of values is acceptable for Parameters, and what constraints are placed on the model. The ease with which the model can be changed also allows one to easily test the significance of certain Parameters in a fitting model.

The lmfit package allows a choice of several optimization methods available from scipy.optimize. The default, and by far best tested optimization method used is the Levenberg-Marquardt algorithm from MINPACK-1 as implemented in scipy.optimize.leastsq. This method is by far the most tested and best support method in lmfit, and much of this document assumes this algorithm is used unless explicitly stated. An important point for many scientific analysis is that this is only method that automatically estimates uncertainties and correlations between fitted variables from the covariance matrix calculated during the fit.

A few other optimization routines are also supported, including Nelder-Mead simplex downhill, Powell's method, COBYLA, Sequential Least Squares methods as implemented in scipy.optimize.fmin, and several others from scipy.optimize. In their native form, some of these methods setting allow upper or lower bounds on parameter variables, or adding constraints on fitted variables. By using Parameter objects, lmfit allows bounds and constraints for all of these methods, and makes it easy to swap between methods without hanging the objective function or set of Parameters.

Finally, because the approach derived from MINPACK-1 usin the covariance matrix to determine uncertainties is sometimes questioned (and sometimes rightly so), lmfit supports methods to do a brute force search of the confidence intervals and correlations for sets of parameters.

This is the Python 3 version of the package.

Matplotlib ist eine Bibliothek in reinem Python zur Ausgabe von Zeichnungen. Sie wurde entworfen, um mit Python veröffentlichungsreife Qualität zu erzeugen; Matlab-Benutzern wird die Syntax vertraut sein. Für alle Plot- Befehle der pylab-Schnittstelle gibt es zwei Aufrufmöglichkeiten: eine funktionale Schnittstelle (Matlab-Anwendern vertraut) und eine objektorientierte Schnittstelle für Python-Anwender.

NumPy contains a powerful N-dimensional array object, sophisticated (broadcasting) functions, tools for integrating C/C++ and Fortran code, and useful linear algebra, Fourier transform, and random number capabilities.

This package installs NumPy for Python 3.

A Python interface to the C++ Parma Polyhedra Library (PPL), which allows computations with polyhedra and grids, like mixed integer linear programming.

This package installs the library for Python 3.

It is implemented in Python and the performance critical parts are implemented in Cython.

PySPH is implemented in a way that allows a user to specify the entire SPH simulation in pure Python. High-performance code is generated from this high-level Python code, compiled on the fly and executed. PySPH also features optional automatic parallelization using mpi4py and Zoltan.

PySwarms is an extensible research toolkit for particle swarm optimization (PSO) in Python.

It is intended for swarm intelligence researchers, practitioners, and students who prefer a high-level declarative interface for implementing PSO in their problems. PySwarms enables basic optimization with PSO and interaction with swarm optimizations.

Features:

• High-level module for Particle Swarm Optimization
• Built-in objective functions to test optimization algorithms
• Plotting environment for cost histories and particle movement
• Hyperparameter search tools to optimize swarm behaviour

This package contains the Python 3.x version of PySwarms.

Implements band-limited sinc interpolation method for sampling rate conversion.

rioxarray is an extension to the xarray package that

• supports multidimensional datasets such as netCDF
• stores the CRS as a WKT, which is the recommended format
• loads in the CRS, transform, and nodata metadata in standard CF & GDAL locations
• supports masking and scaling data with the masked and mask_and_scale kwargs
• adds the coordinate axis CF metadata
• loads in raster metadata into the attributes

This package provides the Python 3 library

SciPy ergänzt die populären NumPy-Module (das Paket python-numpy), indem eine Vielfalt von hochentwickelten Wissenschafts- und Technikmodulen zusammen in einem Paket geliefert werden.

SciPy ist ein Satz von quelloffenen wissenschaftlichen und numerischen Werkzeugen für Python. Es unterstützt derzeit spezielle Funktionen, Integrale, Gradientenoptimierung und genetische Algorithmen. Enthalten sind Werkzeuge für Parallelrechner, ein Gleichungslöser für gewöhnliche Differentialgleichungen (ODE), ein Programm, das Ausdrücke in C++-Code umsetzt und anderes mehr.

SfePy is a software for solving systems of coupled partial differential equations (PDEs) by the finite element method in 1D, 2D and 3D. It can be viewed both as black-box PDE solver, and as a Python package which can be used for building custom applications. The word “simple” means that complex FEM problems can be coded very easily and rapidly.

This package implements sparse multidimensional arrays on top of NumPy and scipy.sparse. It generalizes the scipy.sparse.coo_matrix layout but extends beyond just rows and columns to an arbitrary number of dimensions. The original motivation is for machine learning algorithms, but it is intended for somewhat general use.

It supports:

• NumPy ufuncs (where zeros are preserved)
• Arithmetic with scalars (where zeros are preserved)
• Reductions (sum, max)
• Reshape
• Transpose
• Tensordot
• Slicing with integers, lists, and slices (with no step value)
• Concatenation and stacking
• Addition with other sparse arrays of the same shape

This package provides the modules for Python 3.

PyTables is a package for managing hierarchical datasets and designed to efficiently cope with extremely large amounts of data.

It is built on top of the HDF5 library and the NumPy package. It features an object-oriented interface that, combined with C extensions for the performance-critical parts of the code (generated using Cython), makes it a fast, yet extremely easy to use tool for interactively save and retrieve very large amounts of data. One important feature of PyTables is that it optimizes memory and disk resources so that they take much less space (between a factor 3 to 5, and more if the data is compressible) than other solutions, like for example, relational or object oriented databases.

• Compound types (records) can be used entirely from Python (i.e. it is not necessary to use C for taking advantage of them).
• The tables are both enlargeable and compressible.
• I/O is buffered, so you can get very fast I/O, specially with large tables.
• Very easy to select data through the use of iterators over the rows in tables. Extended slicing is supported as well.
• It supports the complete set of NumPy objects.

Theano is a Python library that allows one to define and evaluate mathematical expressions involving multi-dimensional arrays efficiently. It provides a high-level Numpy like expression language for functional description of calculation, rearranges expressions for speed and stability, and generates native machine instructions for fast calculation. Optionally, highly accelerated computations could be carried out on graphics cards processors.

This package contains Theano for Python 3.

xarray (formerly xray) is an open source project and Python package that aims to bring the labeled data power of pandas to the physical sciences, by providing N-dimensional variants of the core pandas data structures.

It provides a pandas-like and pandas-compatible toolkit for analytics on multi-dimensional arrays, rather than the tabular data for which pandas excels.

This package provides the Python 3 library

Pyzo is a cross-platform Python IDE focused on interactivity and introspection, which makes it very suitable for scientific computing. Its practical design is aimed at simplicity and efficiency.

It consists of two main components, the editor and the shell, and uses a set of pluggable tools to help the programmer in various ways. Some example tools are source structure, project manager, interactive help, workspace...

Pyzo is written in (pure) Python 3 and uses the Qt GUI toolkit. Binaries are provided for all major operating system. After installing Pyzo, it can be used to execute code on any Python version available on your system (Python 2.4 - 3.x, including Pypy).

This package provides the Pyzo IDE.

QSopt-ex is an implementation of a simplex-based algorithm that returns exact rational solutions, taking advantage of the speed of floating-point calculations and attempting to minimize the operations performed in rational arithmetic.

This package contains the command-line utilities.

R ist ein System für statistische Berechnungen und Grafiken. Es besteht aus einer Sprache mit grafischer Laufzeitumgebung und einem Debugger. Der Zugriff auf bestimmte Systemfunktionen und die Ausführung von Skriptdateien ist möglich.

Der Entwurf von R wurde stark von zwei existierenden Sprachen beeinflusst: S von Becker, Chambers & Wilks und Scheme von Sussman. Während die resultierende Sprache ein S ähnelndes Aussehen hat, stammt die Semantik und die interne Implementierung von Scheme ab.

Der Kern von R ist eine interpretierte Programmiersprache, die Verzweigungen und Schleifen sowie modulare Programmierung unter Verwendung von Funktionen ermöglicht. Die meisten dem Anwender zugänglichen Funktionen von R sind in R geschrieben. Der Anwender kann zur Effizienzsteigerung in den Sprachen C, C++ oder Fortran geschriebene Funktionen einsetzen, was auch viele Grundfunktionen von R ausnutzen. Die R-Distribution enthält Funktionalitäten für eine große Zahl statistischer Verfahren und die zugrunde liegenden mathematischen Berechnungen. Es gibt auch eine Vielzahl von Funktionen, die zusammen eine flexible grafische Umgebung für die Erzeugung vielfältiger grafischer Darstellungen bilden.

Zusätzlich sind mehrere tausend Erweiterungs-»Pakete« beim Comprehensive R Archive Network (CRAN) verfügbar. Viele von ihnen sind auch als Debian-Pakete verfügbar, deren Namen dem Schema »r-cran-« folgen.

Dieses Metapaket vereinfacht den Übergang von dem Paket-Setup vor 1.5.0 mit seinem größeren »r-base«-Paket. Einmal installiert, kann es gefahrlos entfernt werden und apt-get wird automatisch seine Komponenten bei zukünftigen Upgrades aktualisieren. Die Bereitstellung dieses Pakets ermöglicht Anwendern, nur r-base-core zu installieren, wenn sie dies wünschen.

This R package solves a system of nonlinear equations using a Broyden or a Newton method with a choice of global strategies such as line search and trust region. There are options for using a numerical or user supplied Jacobian, for specifying a banded numerical Jacobian and for allowing a singular or ill-conditioned Jacobian.

Scilab ist ein matrixorientiertes, wissenschaftliches Softwarepaket. Es enthält hunderte integrierte mathematische Funktionen und reichhaltige Datenstrukturen (einschließlich Polynome, Brüche, lineare Systeme, Listen usw.). Beigelegt sind auch diverse spezifische Werkzeugsätze für Steuerung, Signalverarbeitung, …

Dieses Paket enthält außerdem Xcos, einen grafischen Editor zur Erstellung von Modellen für dynamische Hybridsysteme. Modelle können erstellt, geladen, abgespeichert, kompiliert und simuliert werden. Als stabile und effiziente Lösung für industrielle und akademische Anforderungen stellt Xcos Funktionalitäten zum Modellieren von mechanischen Systemen (Fahrzeug-, Flugtechnik, …), Hydraulikkreisläufen (Damm-, Rohrmodelle, …), Steuerungssystemen usw. bereit. Die Verwendung von Modelica ist möglich.

Das Paket »scilab-cli« installiert eine Minimalversion von Scilab.

SDPB is an open-source, arbitrary-precision, parallelized semidefinite program solver, designed for the conformal bootstrap. SDPB significantly outperforms less specialized solvers and should enable many new computations.

For more information, see "A Semidefinite Program Solver for the Conformal Bootstrap" at http://arxiv.org/abs/1502.02033.

Spyder is a powerful interactive development environment for Python providing many features and facilities, including advanced editing facilities (including tooltips and completion facilities), issue highlighting, interactive testing, debugging and introspection facilities, an embedded console (IPython) supporting graphics and much more.

This package provides the application.

There is one plugin currently available in Debian: spyder-unittest, in the package python3-spyder-unittest.

Toulbar2 is an exact discrete optimization tool for Graphical Models such as Cost Function Networks, Markov Random Fields, Weighted Constraint Satisfaction Problems and Bayesian Nets.

ViTables is a component of the PyTables family. It is a graphical tool for browsing and editing files in both PyTables and HDF5 formats.

ViTables capabilities include easy navigation through the data hierarchy, displaying of real data and its associated metadata, a simple, yet powerful, browsing of multidimensional data and much more.

One of the greatest strengths of ViTables is its ability to display very large tables. Tables with one thousand millions of rows (and beyond) are navigated stunningly fast and with very low memory requirements. So, if you ever need to browse very large tables, don't hesitate, ViTables is your choice.

xtensor is a C++ library meant for numerical analysis with multi-dimensional array expressions.

This is a dummy package transitioning to libxtensor-dev.

Yet Another Dynamic Engine.

Extensible open-source framework for discrete numerical models, focused on Discrete Element Method. The computation parts are written in c++ using flexible object model, allowing independent implementation of new algorithms and interfaces. Python is used for rapid and concise scene construction, simulation control, postprocessing and debugging.

This package contains speed-optimized build of yade.

Yorick is an interpreted programming language for:

• scientific simulations or calculations
• postprocessing or steering large simulation codes
• interactive scientific graphics
• reading, writing, and translating large files of numbers

The language features a compact syntax for many common array operations, so it processes large arrays of numbers very quickly and efficiently. Superficially, yorick code resembles C code, but yorick variables are never explicitly declared and have a dynamic scoping similar to many Lisp dialects. The yorick language is designed to be typed interactively at a keyboard, as well as stored in files for later use.

This package includes an emacs-based development environment, which you can launch by typing M-x yorick in emacs.

Many add-on packages and plug-ins are available for Yorick (the package names begin with "yorick-"). You may want to install the yorick-full metapackage which depends on the vast majority of them.

CalculiX is a free and open source finite element analysis application that uses a similar input format to Abaqus. It has an implicit and explicit solver and a pre and post processor (CGX).

This package contains the documentation in html format for CalculiX CrunchiX

CalculiX is a free and open source finite element analysis application that uses a similar input format to Abaqus. It has an implicit and explicit solver and a pre and post processor (CGX).

This package contains example files for CalculiX CrunchiX.

CalculiX GraphiX (cgx) is a 3-dimensional pre- and post-processor for finite elemnts. CalculiX CrunchiX Finite Element Models can be build, calculated and post-processed. The pre- and post-processor is an interactive 3D-tool using the openGL API.

In addition to the Calculix CrunchiX results files (frd) results from OpenFoam, Duns (2D and 3D), Isaac (2D and 3D) and Nastran (f06) can be read. For preprocessing Netgen nativ format, STEP and STL can be imported.

This package contains the examples.

Ceres Solver is an open source C++ library for modeling and solving large, complicated optimization problems. It is a feature rich, mature and performant library which has been used in production at Google since 2010.

Ceres Solver can solve two kinds of problems.

• Non-linear Least Squares problems with bounds constraints.
• General unconstrained optimization problems.

This package contains the documentation found on http://ceres-solver.org/ and the examples that were included with the release.

The Coin-MP optimizer is an open source solver, it is part of the COIN-OR project which is an initiative to spur the development of open-source software for the operations research community.

CoinMP is a C-API library that supports most of the functionality of CLP (Coin LP), CBC (Coin Branch-and-Cut), and CGL (Cut Generation Library) projects.

This package contains the files needed to build applications using libCoinMP.

The Surface Evolver is an interactive program for the modelling of liquid surfaces shaped by various forces and constraints.

This package provides evolver variants built with different floating point formats (double, long double, quadruple) but with no X support.

The Surface Evolver is an interactive program for the modelling of liquid surfaces shaped by various forces and constraints.

This package provides evolver variants built with different floating point formats (double, long double, quadruple) and with an OpenGL/GLUT display.

The High Performance Computing (HPC) Challenge benchmark runs a suite of 7 tests that measure the performance of CPU, memory and network for HPC clusters. Amongst others, it includes the High-Performance LINPACK (HPL) benchmark, used by the Top500 ranking (http://www.top500.org/).

Neartree is an API and a library for finding nearest neighbors among points in spaces of arbitrary dimensions. This package provides a C++ template, TNear.h, and C library and header files for compiling programs using Neartree.

The library uses the Nearest Neighbor algorithm after Kalantari and McDonald, (IEEE Transactions on Software Engineering, v. SE-9, pp. 631-634,1983) modified to use recursion instead of a double-linked tree and simplified so that it does less checking for things like is the distance to the right less than the distance to the left; it was found that these checks make little to no difference.

A lightweight C++ library of numerical optimization methods for nonlinear functions, including L-BFGS-B for TensorFlow

This is a simple C package for adaptive multidimensional integration (cubature) of vector-valued integrands over hypercubes. Of course, it can handle scalar integrands as the special case where f is a one-dimensional vector: the dimensionalities of f and x are independent. The integrand can be evaluated for an array of points at once to enable easy parallelization.

This package contains the development files.

LBFGS++ is a header-only C++ library that implements the Limited-memory BFGS algorithm (L-BFGS) for unconstrained minimization problems, and a modified version of the L-BFGS-B algorithm for box-constrained ones.

Psurface is a C++ library that handles piecewise linear bijections between triangulated surfaces. These surfaces can be of arbitrary shape and need not even be manifolds.

There are two main uses for psurface. When doing adaptive finite element simulations on grids with parametrized boundaries, psurface can store the parametrization. Boundary parametrizations are practically mappings from the coarse grid boundary to the actual boundary, and if that actual boundary is a triangulated surface then psurface can handle it. This is implemented, for example, in the dune-grid module of Dune.

Secondly, when doing domain decomposition methods with nonconforming interfaces, you need to relate the two interface grids to each other. Psurface can do this for you, even if your interfaces do not match geometrically. Such is the case, e.g., in contact problems. This second functionality is also available for 1d surfaces in 2d space.

The easiest way to use psurface for domain decomposition is to get the dune-grid-glue module and use it to drive psurface.

This package contains the development files.

libquantum is a C library for the simulation of a quantum computer. Based on the principles of quantum mechanics, it provides an implementation of a quantum register. Basic operations for register manipulation such as the Hadamard gate or the Controlled-NOT gate are available through an easy-to-use interface. Measurements can be performed on either single qubits or the whole quantum register.

Features:

• Simulation of arbitrary quantum algorithms is possible
• High performance and low memory consumption
• Decoherence support for realistic quantum computation
• Interface for quantum error correction (QEC)
• Supports the density operator formalism
• Implementations of Shor's factoring algorithm and Grover's search algorithm are included

This package contains the header files and static libraries which are needed to develop applications based on libquantum.

The STochastic OPTimization library (StOpt) aims at providing tools in C++ for solving some stochastic optimization problems encountered in finance or in the industry. Different methods are available:

• dynamic programming methods based on Monte Carlo with regressions (global, local, kernel and sparse regressors), for underlying states following some uncontrolled Stochastic Differential Equations;
• dynamic programming with a representation of uncertainties with a tree: transition problems are here solved by some discretizations of the commands, resolution of LP with cut representation of the Bellman values;
• Semi-Lagrangian methods for Hamilton Jacobi Bellman general equations for underlying states following some controlled Stochastic Differential Equations;
• Stochastic Dual Dynamic Programming methods to deal with stochastic stock management problems in high dimension. Uncertainties can be given by Monte Carlo and can be represented by a state with a finite number of values (tree);
• Some branching nesting methods to solve very high dimensional non linear PDEs and some appearing in HJB problems. Besides some methods are provided to solve by Monte Carlo some problems where the underlying stochastic state is controlled. For each method, a framework is provided to optimize the problem and then simulate it out of the sample using the optimal commands previously computed. Parallelization methods based on OpenMP and MPI are provided in this framework permitting to solve high dimensional problems on clusters. The library should be flexible enough to be used at different levels depending on the user's willingness.

This package contains the headers and the static libraries (libstopt-mpi which allows for multithreading, and libstopt which does not).