Summary
Physics
Debian Science Physics packages
This metapackage will install Debian Science packages related to Physics.
You might also be interested in the debtag field::physics and, depending on
your focus, in education-physics metapackage.
The list to the right includes various software projects which are of some interest to the Debian Science Project. Currently, only a few of them are available as Debian packages. It is our goal, however, to include all software in Debian Science which can sensibly add to a high quality Debian Pure Blend.
For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:
If you discover a project which looks like a good candidate for Debian Science
to you, or if you have prepared an unofficial Debian package, please do not hesitate to
send a description of that project to the Debian Science mailing list
Links to other tasks
|
Debian Science Physics packages
Official Debian packages with high relevance
|
Abinit
A package for electronic structure calculations
|
| Versions of package abinit |
| Release | Version | Architectures |
| lenny | 5.3.4.dfsg-3+b1 | mips,mipsel |
| sid | 5.3.4.dfsg-3+b1 | mipsel,mips |
| squeeze | 5.3.4.dfsg-3+b1 | mipsel,mips |
| lenny | 5.3.4.dfsg-3 | sparc,powerpc,arm,i386,armel,alpha,ia64,amd64,s390,hppa |
| sid | 5.3.4.dfsg-3 | ia64,alpha,amd64,armel,hppa,hurd-i386,i386,powerpc,s390,sparc |
| squeeze | 5.3.4.dfsg-3 | armel,sparc,ia64,i386,s390,hppa,amd64,powerpc |
| Debtags of package abinit: |
| field | physics, chemistry |
| role | program |
|
License: DFSG free
|
|
ABINIT is a package whose main program allows one to find the total energy,
charge density and electronic structure of systems made of electrons and
nuclei (molecules and periodic solids) within Density Functional Theory (DFT),
using pseudopotentials and a planewave basis.
ABINIT also includes options to optimize the geometry according to the DFT
forces and stresses, or to perform molecular dynamics simulations using these
forces, or to generate dynamical matrices, Born effective charges, and
dielectric tensors. Excited states can be computed within the Time-Dependent
Density Functional Theory (for molecules), or within Many-Body Perturbation
Theory (the GW approximation). In addition to the main ABINIT code, different
utility programs are provided.
This package contains all programs needed to perform calculations. For
documentation and tests, install the abinit-doc package.
|
|
|
Axiom
A general purpose computer algebra system: main binary and modules
|
| Versions of package axiom |
| Release | Version | Architectures |
| sid | 20081101-2 | s390,powerpc,i386,amd64 |
| etch | 20050901-9 | s390,mipsel,arm,powerpc,alpha,hppa,amd64,sparc,i386,ia64,mips |
| sid | 20050901-10.1 | hppa,armel,mipsel,mips,alpha,ia64 |
| lenny | 20050901-10 | i386,amd64,hppa,mips,sparc,powerpc,s390,mipsel,alpha,ia64,arm,armel |
| sid | 20050901-10 | sparc |
| squeeze | 20050901-10 | sparc,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,s390 |
| Debtags of package axiom: |
| devel | interpreter, compiler |
| field | mathematics |
| interface | text-mode |
| role | program |
| scope | utility |
|
License: DFSG free
|
|
Axiom is useful for
research and development of mathematical algorithms. It defines a
strongly typed, mathematically correct type hierarchy. It has a
programming language and a built-in compiler.
Axiom has been in development since 1973 and was sold as a
commercial product. It has been released as free software.
Efforts are underway to extend this software to (a) develop a
better user interface (b) make it useful as a teaching tool
(c) develop an algebra server protocol (d) integrate additional
mathematics (e) rebuild the algebra in a literate programming style
(f) integrate logic programming (g) develop an Axiom Journal with
refereed submissions.
This package contains the main program binary and all precompiled
algebra and autoloadable modules.
The package is enhanced by the following packages:
texmacs
|
|
|
Cadabra
field-theory motivated computer algebra system
|
| Versions of package cadabra |
| Release | Version | Architectures |
| sid | 1.16-1 | mips,armel,mipsel,i386,powerpc,amd64,s390,ia64,sparc,alpha,hppa |
| squeeze | 1.16-1 | sparc,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,s390 |
|
License: DFSG free
|
|
Cadabra is a computer algebra system designed specifically for the
solution of problems encountered in field theory. It has extensive
functionality for tensor polynomial simplification including
multi-term symmetries, fermions and anti-commuting variables,
Clifford algebras and Fierz transformations, implicit coordinate
dependence, multiple index types and many more. The input format is
a subset of TeX.
|
|
|
Cernlib
CERNLIB data analysis suite - general use metapackage
|
| Versions of package cernlib |
| Release | Version | Architectures |
| sid | 2006.dfsg.2-14 | all |
| squeeze | 2006.dfsg.2-14 | all |
| lenny | 2006.dfsg.2-13.2 | all |
| etch | 2005.dfsg-5 | all |
| Debtags of package cernlib: |
| field | physics |
| role | metapackage, dummy |
| special | meta |
|
License: DFSG free
|
|
CERNLIB is a suite of data analysis tools and libraries created for
use in physics experiments, but also with applications to other
fields such as the biological sciences.
This metapackage provides almost all of the programs and libraries contained
in CERNLIB. Most people will likely want only a subset of these. A few
extra CERNLIB programs, not of interest to many people, may be obtained via
the cernlib-extras metapackage.
|
|
|
Drawxtl
|
| Versions of package drawxtl |
| Release | Version | Architectures |
| sid | 5.4+dfsg-3 | mips,armel,mipsel,hurd-i386,powerpc,i386,s390,amd64,sparc,alpha,ia64,hppa |
| squeeze | 5.4+dfsg-3 | sparc,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,s390 |
|
License: DFSG free
|
|
DRAWxtl reads a basic description of the crystal structure, which includes
unit-cell parameters, space group, atomic coordinates, thermal parameters or
a Fourier map, and outputs a geometry object that contains polyhedra, planes,
lone-pair cones, spheres or ellipsoids, bonds, iso-surface Fourier contours
and the unit-cell boundary.
Four forms of graphics are produced:
-
an OpenGL window for immediate viewing
-
the Persistence of Vision Ray Tracer (POV-RAY) scene language for
publication-quality drawings
-
the Virtual Reality Modeling Language (VRML) for dissemination
across the Internet
-
a Postscript rendering of the OpenGL window for those who want
high-quality output but do not have POV-RAY installed.
File formats DRAWxtl can read include CIF, FDAT, FullProf (pcr), GSAS, SCHAKAL,
SHELX, DISCUS and WIEN2k.
|
|
|
Drawxtl
|
| Versions of package drawxtl |
| Release | Version | Architectures |
| sid | 5.4+dfsg-3 | mips,armel,mipsel,hurd-i386,powerpc,i386,s390,amd64,sparc,alpha,ia64,hppa |
| squeeze | 5.4+dfsg-3 | sparc,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,s390 |
|
License: DFSG free
|
|
DRAWxtl reads a basic description of the crystal structure, which includes
unit-cell parameters, space group, atomic coordinates, thermal parameters or
a Fourier map, and outputs a geometry object that contains polyhedra, planes,
lone-pair cones, spheres or ellipsoids, bonds, iso-surface Fourier contours
and the unit-cell boundary.
Four forms of graphics are produced:
-
an OpenGL window for immediate viewing
-
the Persistence of Vision Ray Tracer (POV-RAY) scene language for
publication-quality drawings
-
the Virtual Reality Modeling Language (VRML) for dissemination
across the Internet
-
a Postscript rendering of the OpenGL window for those who want
high-quality output but do not have POV-RAY installed.
File formats DRAWxtl can read include CIF, FDAT, FullProf (pcr), GSAS, SCHAKAL,
SHELX, DISCUS and WIEN2k.
|
|
|
Feynmf
set of LaTeX macros for creating Feynman diagrams
|
| Versions of package feynmf |
| Release | Version | Architectures |
| lenny | 1.08-5 | all |
| sid | 1.08-5 | all |
| squeeze | 1.08-5 | all |
| etch | 1.08-3 | all |
| Debtags of package feynmf: |
| field | physics |
| made-of | tex |
| works-with | text |
| works-with-format | tex |
|
License: DFSG free
|
|
FeynMF is a LaTeX package for easy drawing of professional-quality Feynman
diagrams, illustrations that depict the fundamental interactions of subatomic
particles. The diagrams may be created using either the Metafont
or MetaPost programs. FeynMF lays out most diagrams satisfactorily from the
structure of the graph without any need for manual intervention.
Nevertheless all the power of Metafont or MetaPost is available for more
obscure cases.
Note that you will need the texlive-metapost package in order to use the
MetaPost-based version of FeynMF.
|
|
|
Fityk
general-purpose nonlinear curve fitting and data analysis
|
| Versions of package fityk |
| Release | Version | Architectures |
| sid | 0.8.9-1 | s390,alpha,amd64,armel,hppa,hurd-i386,i386,ia64,mips,mipsel,powerpc,sparc |
| squeeze | 0.8.9-1 | sparc,powerpc,ia64,i386,hppa,s390,armel,amd64,mipsel,mips |
| lenny | 0.8.6-2 | i386,sparc,hppa,amd64,mips,arm,powerpc,s390,mipsel,armel,alpha,ia64 |
| etch | 0.7.6-1 | arm,s390,mips,mipsel,powerpc,amd64,sparc,hppa,alpha,i386,ia64 |
| Debtags of package fityk: |
| field | physics, chemistry |
| interface | x11 |
| legacy | science |
| role | program |
| scope | utility |
| uitoolkit | wxwidgets |
| x11 | application |
|
License: DFSG free
|
|
Fityk is a flexible and portable program for nonlinear fitting of analytical
functions (especially peak-shaped) to data (usually experimental data). In
other words, for nonlinear peak separation and analysis.
It was developed for analyzing diffraction patterns, but can be also used in
other fields, since concepts and operations specific for crystallography are
separated from the rest of the program.
Fityk offers various nonlinear fitting methods, subtracting background,
calibrating data, easy placement of peaks and changing peak parameters,
automation of common tasks with scripts, and much more. The main advantage
of the program is flexibility - parameters of peaks can be arbitrarily
bound to each other, eg. the width of a peak can be an independent
variable, can be the same as the width of another peak or can be given
by a complicated - common to all peaks - formula.
|
|
|
Geant321
[Physics] Particle detector description and simulation tool
|
| Versions of package geant321 |
| Release | Version | Architectures |
| lenny | 3.21.14.dfsg-8 | all |
| sid | 3.21.14.dfsg-8 | all |
| squeeze | 3.21.14.dfsg-8 | all |
| etch | 3.21.14.dfsg-4 | all |
| Debtags of package geant321: |
| devel | lang:fortran |
| field | physics |
|
License: DFSG free
|
|
GEANT is a framework for simulating the passage of subatomic particles
through matter, for instance, particle detectors. For maximum flexibility,
GEANT simulations are performed by linking FORTRAN code supplied by the user
with the GEANT library, then running the resulting executable.
This package includes gxint, a script that makes this linking step more
convenient.
|
|
|
Gerris
|
| Versions of package gerris |
| Release | Version | Architectures |
| sid | 20091109-dfsg.1-1 | mips,armel,mipsel,hurd-i386,powerpc,i386,s390,amd64,sparc,alpha,ia64,hppa |
| squeeze | 20091109-dfsg.1-1 | sparc,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,s390 |
| Debtags of package gerris: |
| field | physics, mathematics |
|
License: DFSG free
|
|
Gerris is a system for the solution of the partial differential
equations describing fluid flow.
A brief summary of its main (current) features:
-
Solves the time-dependent incompressible variable-density Euler,
Stokes or Navier-Stokes equations
-
Adaptive mesh refinement: the resolution is adapted dynamically to
the features of the flow
-
Entirely automatic mesh generation in complex geometries
-
Second-order in space and time
-
Unlimited number of advected/diffused passive tracers
-
Flexible specification of additional source terms
-
Portable parallel support using the MPI library
-
Volume of Fluid advection scheme for interfacial flows
|
|
|
Gpiv
GUI program for Particle Image Velocimetry
|
| Versions of package gpiv |
| Release | Version | Architectures |
| sid | 0.6.1-2 | s390,alpha,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,sparc |
| squeeze | 0.6.1-2 | sparc,powerpc,ia64,i386,hppa,s390,armel,amd64,mipsel,mips |
| lenny | 0.5.2-3 | i386,s390,hppa,amd64,mips,sparc,powerpc,alpha,mipsel,arm,ia64,armel |
| sid | 0.5.2-3 | hurd-i386 |
| etch | 0.3.1-2 | s390,mips,arm,mipsel,powerpc,amd64,sparc,hppa,alpha,i386,ia64 |
| Debtags of package gpiv: |
| uitoolkit | gtk |
|
License: DFSG free
|
|
Gpiv is a Graphic User Interface program using the GTK/GNOME libraries for
Particle Image Velocimetry (PIV). The program gives a quick overview
of the parameter settings of the processes and allows to change them
easy, running the processes, individually or in a chain,
visualizes and displays the results. The processes that may be
invoked by Gpiv are:
Image processing: typical image manipulations that might be needed for PIV
interrogation.
Image interrogation, resulting into estimators of particle image
displacements.
Data validation to test on outliers, peak-locking effect and
velocity gradients over the interrogation area's.
Data post-processing: data manipulation, spatial and time scaling to
obtain a velocity field from the PIV data, calculation of spatial
averages, vorticity and strain.
|
|
|
Gpivtools
command line programs for Particle Image Velocimetry
|
| Versions of package gpivtools |
| Release | Version | Architectures |
| sid | 0.6.0-1+b1 | i386,amd64,ia64,powerpc |
| squeeze | 0.6.0-1+b1 | powerpc,amd64,i386,ia64 |
| sid | 0.6.0-1 | s390,alpha,armel,hppa,mips,mipsel,sparc |
| squeeze | 0.6.0-1 | sparc,mipsel,hppa,armel,s390,mips |
| lenny | 0.5.2-3 | alpha,ia64,hppa,powerpc,mips,amd64,s390,sparc,i386,mipsel,arm,armel |
| sid | 0.5.2-3 | hurd-i386 |
| etch | 0.3.3-1 | powerpc,mips,mipsel,sparc,arm,alpha,hppa,amd64,i386,s390,ia64 |
| upstream | 0.6.0 |
| Debtags of package gpivtools: |
| interface | commandline |
| role | program |
|
License: DFSG free
|
|
A collection of programs for images that are generated
during a Particle Image Velocimetry (PIV) experiment. This is a
technique to obtain the velocity field of a fluid flow quantitatively
and is performed by tracking tracer particles that have been seeded
to a fluid. The technique is also applied for observing deformations
at surfaces of (solid) bodies. The package contains:
an image processing program for typical filtering and manipulation
routines that may be convenient for PIV.
an image interrogation program resulting into estimators of particle
image displacements.
validation programs to test on outliers, peak-locking effect and
velocity gradients.
post-processing programs for data manipulation (flipping, rotation
etc), spatial and time scaling, calculation of spatial averages and
derivative quantities from the PIV data, like vorticity and strain.
miscellaneous programs and scripts to perform image format conversion,
batch-processing, pipeline processing (image evaluation, validation and
post-processing at once), calculation of time averages from a series
of PIV data sets, data-visualization and data-manipulation.
All programs start with gpiv_.
This package contains all files used by gpivtools and gpivtools-mpi,
like the man pages.
|
|
|
Maxima
A computer algebra system -- base system
|
| Versions of package maxima |
| Release | Version | Architectures |
| sid | 5.17.1-1 | s390,alpha,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,sparc |
| squeeze | 5.17.1-1 | sparc,powerpc,ia64,i386,hppa,s390,armel,amd64,mipsel,mips |
| lenny | 5.13.0-3.1+b1 | mips,amd64,powerpc,mipsel,ia64,alpha,i386,s390,hppa |
| lenny | 5.13.0-3.1 | sparc,armel,arm |
| etch | 5.10.0-6 | s390,mips,arm,mipsel,powerpc,amd64,sparc,hppa,alpha,i386,ia64 |
| upstream | 5.20.0 |
| Debtags of package maxima: |
| field | mathematics |
| interface | x11, text-mode |
| role | program |
| scope | utility |
| special | completely-tagged |
| uitoolkit | tk, ncurses |
| use | learning |
| x11 | application |
|
License: DFSG free
|
|
Maxima is a fully symbolic computation program. It is full featured
doing symbolic manipulation of polynomials, matrices, rational
functions, integration, Todd-coxeter methods for finite group
analysis, graphing, multiple precision floating point computation.
It has a symbolic source level debugger for maxima code. Maxima is
based on the original Macsyma developed at MIT in the 1970s. It is
quite reliable, and has good garbage collection, and no memory leaks.
It comes with hundreds of self tests.
This package contains the main executables and base system files.
The package is enhanced by the following packages:
texmacs
|
|
|
Meshlab
System for processing and editing triangular meshes
|
| Versions of package meshlab |
| Release | Version | Architectures |
| sid | 1.2.2-2 | mips,armel,mipsel,i386,powerpc,amd64,s390,ia64,sparc,alpha,hppa |
| squeeze | 1.2.2-2 | sparc,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,s390 |
|
License: DFSG free
|
|
MeshLab is an open source, portable, and extendible system for the
processing and editing of unstructured 3D triangular meshes.
The system is aimed to help the processing of the typical not-so-small
unstructured models arising in 3D scanning, providing a set of tools for
editing, cleaning, healing, inspecting, rendering and converting this kind
of meshes.
Meshlab can read files in these formats: PLY, STL, OFF, OBJ, 3DS, COLLADA
and PTX. It can write PLY, STL, OFF, OBJ, 3DS, COLLADA, VRML, and DXF.
|
|
|
Mpqc
The Massively Parallel Quantum Chemistry Program
|
| Versions of package mpqc |
| Release | Version | Architectures |
| experimental | 2.3.1-5 | alpha,powerpc,amd64,ia64,i386 |
| sid | 2.3.1-4 | mipsel,armel,alpha,sparc,powerpc,mips,hppa,amd64,hurd-i386,ia64,s390,i386 |
| squeeze | 2.3.1-4 | i386,armel,s390,ia64,mips,sparc,mipsel,amd64,powerpc,hppa |
| lenny | 2.3.1-3 | s390,alpha,amd64,arm,armel,hppa,i386,ia64,mips,mipsel,powerpc,sparc |
| etch | 2.3.1-1+b1 | hppa |
| etch | 2.3.1-1 | alpha,mips,ia64,amd64,sparc,i386,s390,powerpc,mipsel,arm |
| Debtags of package mpqc: |
| field | physics, chemistry |
| interface | commandline |
| role | program |
| scope | utility |
|
License: DFSG free
|
|
MPQC is an ab-inito quantum chemistry program. It is especially designed
to compute molecules in a highly parallelized fashion.
It can compute energies and gradients for the following methods:
-
Closed shell and general restricted open shell Hartree-Fock (HF)
-
Density Functional Theory (DFT)
-
Closed shell Moeller-Plesset pertubation theory (MP2)
Additionally, it can compute energies for the following methods:
-
Second order open shell pertubation theory (OPT2[2])
-
Z-averaged pertubation theory (ZAPT2)
It also includes an internal coordinate geometry optimizer.
MPQC is built upon the Scientific Computing Toolkit (SC).
|
|
|
Octaviz
3D visualization system for Octave
|
| Versions of package octaviz |
| Release | Version | Architectures |
| lenny | 0.4.7-2 | s390,ia64,alpha,powerpc,amd64,mips,arm,armel,sparc,hppa,mipsel,i386 |
| etch | 0.4.5-4 | alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,s390,sparc |
| Debtags of package octaviz: |
| devel | lang:octave |
| field | mathematics |
| interface | 3d |
| role | program |
| scope | utility |
| uitoolkit | ncurses |
| use | viewing |
|
License: DFSG free
|
|
Octaviz is a visualization system for Octave. It is a wrapper that
makes all VTK classes accessible from within Octave using the same
object-oriented syntax as in C++ or Python. Octaviz also provides
high-level functions for 2D and 3D visualization. Using those
functions, most common visualization tasks (3D surface plots, contour
plots etc) can be accomplished without any knowledge about VTK.
|
|
|
Openmx
Package for nano-scale material simulations
|
| Versions of package openmx |
| Release | Version | Architectures |
| lenny | 3.2.4.dfsg-3 | arm,i386,armel,mipsel,ia64,alpha,mips,amd64,s390,hppa,sparc,powerpc |
| sid | 3.2.4.dfsg-3 | ia64,alpha,amd64,armel,hppa,hurd-i386,i386,mips,mipsel,powerpc,s390,sparc |
| squeeze | 3.2.4.dfsg-3 | mipsel,hppa,amd64,powerpc,armel,ia64,sparc,mips,i386,s390 |
| upstream | 3.5 |
| Debtags of package openmx: |
| field | physics, chemistry |
|
License: DFSG free
|
|
OpenMX (Open source package for Material eXplorer) is a program package for
nano-scale material simulations based on density functional theories (DFT),
norm-conserving pseudopotentials and pseudo-atomic localized
basis functions. Since the code is designed for the realization of
large-scale ab initio calculations on parallel computers, it is anticipated
that OpenMX can be a useful and powerful tool for nano-scale material sciences
in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic
materials, and nanoscale conductors.
|
|
|
Paw
Physics Analysis Workstation - a graphical analysis program
|
| Versions of package paw |
| Release | Version | Architectures |
| lenny | 2.14.04.dfsg.2-6 | alpha,s390,hppa,mips,amd64,powerpc,sparc,mipsel,arm,ia64,armel,i386 |
| sid | 2.14.04.dfsg.2-6 | s390,alpha,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,sparc |
| squeeze | 2.14.04.dfsg.2-6 | sparc,powerpc,ia64,i386,hppa,s390,armel,amd64,mipsel,mips |
| etch | 2.14.04-7 | s390,mips,arm,mipsel,powerpc,amd64,sparc,hppa,alpha,i386,ia64 |
| Debtags of package paw: |
| field | physics |
| interface | x11 |
| role | program |
| scope | utility |
| use | viewing |
| x11 | application |
|
License: DFSG free
|
|
CERNLIB is a suite of data analysis tools and libraries created for
use in physics experiments, but also with applications to other
fields such as the biological sciences.
PAW is an interactive program providing interactive graphical presentation
and statistical and mathematical analysis tools. It is designed to work
on objects familiar to physicists such as histograms, event files (Ntuples),
vectors, etc.
The program is linked statically against the CERN libraries on 64-bit
architectures in order to function properly, as its design is not
very 64-bit clean.
|
|
|
Paw++
Physics Analysis Workstation (Lesstif-enhanced version)
|
| Versions of package paw++ |
| Release | Version | Architectures |
| lenny | 2.14.04.dfsg.2-6 | alpha,s390,hppa,mips,amd64,powerpc,sparc,mipsel,arm,ia64,armel,i386 |
| sid | 2.14.04.dfsg.2-6 | s390,alpha,amd64,armel,hppa,i386,ia64,mips,mipsel,powerpc,sparc |
| squeeze | 2.14.04.dfsg.2-6 | sparc,powerpc,ia64,i386,hppa,s390,armel,amd64,mipsel,mips |
| etch | 2.14.04-7 | s390,mips,arm,mipsel,powerpc,amd64,sparc,hppa,alpha,i386,ia64 |
| Debtags of package paw++: |
| field | physics |
| interface | x11 |
| role | program |
| scope | utility |
| uitoolkit | motif |
| use | viewing |
| x11 | application |
|
License: DFSG free
|
|
CERNLIB is a suite of data analysis tools and libraries created for
use in physics experiments, but also with applications to other
fields such as the biological sciences.
This package includes Paw++, an interactive program for use in analysis and
graphical presentation. Paw++ is the same program as PAW (in the "paw"
package), but with a more user-friendly Motif-based GUI, compiled against
Lesstif in Debian.
The program is linked statically against the CERN libraries on
64-bit architectures in order to function properly, as its design is not
very 64-bit clean.
|
|
|
Psi3
Quantum Chemical Program Suite
|
| Versions of package psi3 |
| Release | Version | Architectures |
| sid | 3.4.0-2 | s390,alpha,amd64,armel,hppa,hurd-i386,i386,ia64,mips,mipsel,powerpc,sparc |
| squeeze | 3.4.0-2 | sparc,powerpc,ia64,i386,hppa,s390,armel,amd64,mipsel,mips |
| lenny | 3.3.0-3 | sparc,hppa,amd64,s390,mips,arm,powerpc,alpha,mipsel,armel,i386,ia64 |
| etch | 3.2.3-1+b1 | hppa |
| etch | 3.2.3-1 | arm,s390,mips,mipsel,powerpc,amd64,sparc,alpha,i386,ia64 |
| Debtags of package psi3: |
| field | physics, chemistry |
| role | program |
|
License: DFSG free
|
|
PSI3 is an ab-initio quantum chemistry program. It is especially designed to
accurately compute properties of small to medium molecules using highly
correlated techniques.
It can compute energies and gradients for the following methods:
-
Closed shell and general restricted open shell Hartree-Fock (RHF/ROHF)
-
Complete active space SCF (CASSCF)
-
Coupled-cluster singles doubles (CCSD)
-
Coupled-cluster singles doubles with pertubative triples (CCSD(T))
(only for unrestricted (UHF) reference wavefunctions)
Additionally, it can compute energies for the following methods:
-
Unrestricted open shell Hartree-Fock (UHF)
-
Closed/open shell Moeller-Plesset pertubation theory (MP2)
-
Closed shell linear R12 Moeller-Plesset pertubation theory (MP2-R12)
-
Multireference configuration-interaction (MRCI)
-
Coupled-cluster singles doubles with pertubative triples (CCSD(T))
-
Second-order approximate coupled-cluster singles doubles (CC2)
-
Closed shell and general restricted open shell equation-of-motion coupled-
cluster singles doubles (EOM-CCSD)
Further features include:
-
Flexible, modular and customizable input format
-
Excited state calculations with the CC2, EOM-CCSD, CASSCF and MRCI methods
-
Internal coordinate geometry optimizer
-
Harmonic frequencies calculations
-
One-electron properties like dipole/quadrupole moments, natural orbitals,
electrostatic potential, hyperfine coupling constants or spin density
-
Utilization of molecular point-group symmetry to increase efficiency
|
|
|
Python-sympy
Computer Algebra System (CAS) in Python
|
| Versions of package python-sympy |
| Release | Version | Architectures |
| sid | 0.6.4-1 | all |
| squeeze | 0.6.4-1 | all |
| lenny | 0.6.1-1 | all |
|
License: DFSG free
|
|
SymPy is a Python library for symbolic mathematics (manipulation). It aims to
become a full-featured computer algebra system (CAS) while keeping the code as
simple as possible in order to be comprehensible and easily extensible. SymPy
is written entirely in Python and does not require any external libraries,
except optionally for plotting support.
|
|
|
Root-system
metapackage to install all ROOT packages
|
| Versions of package root-system |
| Release | Version | Architectures |
| sid | 5.24.00-1 | all |
| lenny | 5.18.00-2.3~lenny1 | all |
| Debtags of package root-system: |
| field | physics |
|
License: DFSG free
|
|
The ROOT system provides a set of OO frameworks with all the
functionality needed to handle and analyze large amounts of data
efficiently.
With the data defined as a set of objects, specialized storage methods
can give direct access to the separate attributes of the selected
objects, without having to touch the bulk of the data. Included are
histogramming methods in 1, 2 and 3 dimensions, curve fitting, function
evaluation, minimization, graphics and visualization classes to allow the
easy creation of an analysis system that can query and process the data
interactively or in batch mode.
The command language, the scripting (or macro) language, and the
programming language are all C++, thanks to the built-in CINT C++
interpreter. This interpreter removes the time consuming compile/link
cycle, allowing for fast prototyping of the macros, and providing a
good environment to learn C++. If more performance is needed, the
interactively developed macros can be compiled using a C++ compiler.
The system has been designed in such a way that it can query its
databases in parallel on MPP machines or on clusters of workstations
or high-end PCs. ROOT is an open system that can be dynamically
extended by linking external libraries. This makes ROOT a premier
platform on which to build data acquisition, simulation and data
analysis systems.
This package is a metapackage to ensure the installation of all
possible ROOT packages on a system.
|
|
|
Science-electronics
Debian Science Electronics packages
|
| Versions of package science-electronics |
| Release | Version | Architectures |
| sid | 0.8 | all |
| squeeze | 0.7 | all |
| lenny | 0.3 | all |
|
License: DFSG free
|
|
This metapackage will install Debian Science packages related to
Electronics. You might also be interested in the field::electronics
debtag and, depending on your focus, in the education-electronics
metapackage.
|
|
|
Science-numericalcomputation
Debian Science Numerical Computation packages
|
| Versions of package science-numericalcomputation |
| Release | Version | Architectures |
| sid | 0.8 | all |
| squeeze | 0.7 | all |
|
License: DFSG free
|
|
This metapackage will install Debian Science packages useful for
numerical computation. The packages provide an array oriented
calculation and visualisation system for scientific computing and
data analysis. These packages are similar to commercial systems such
as Matlab and IDL.
|
|
|
Tessa
simulation of 3D optical systems with the FDTD method
|
| Versions of package tessa |
| Release | Version | Architectures |
| sid | 0.3.1-4+b3 | hppa,i386,s390,mipsel,amd64,alpha,sparc,powerpc,ia64 |
| squeeze | 0.3.1-4+b3 | sparc,i386,mipsel,hppa,powerpc,amd64,s390,ia64 |
| squeeze | 0.3.1-4+b2 | mips,armel |
| sid | 0.3.1-4+b2 | mips,armel |
| lenny | 0.3.1-4+b2 | hppa,mipsel,sparc,powerpc,amd64,s390,i386,arm,alpha,ia64 |
| lenny | 0.3.1-4+b1 | mips,armel |
| etch | 0.3.1-4 | mips,amd64,sparc,arm,hppa,s390,i386,powerpc,ia64,mipsel,alpha |
| Debtags of package tessa: |
| field | physics |
| interface | commandline |
| role | program |
| scope | application |
| works-with | 3dmodel |
|
License: DFSG free
|
|
Tessa is a three-dimensional simulation software for optical systems at
the wavelength scale, based on the finite differences time-domain method
(FDTD). It focuses on simulating large, resonating structures, but can
also be used to study propagating beams. It can simulate arbitrary
dielectric and absorbing materials, and can be used on single
workstations as well as clusters.
Tessa is believed to be terribly efficient.
URL: http://alioth.debian.org/projects/tessa/
|
|
|
Tessa-mpi
simulation of 3D optical systems using FDTD on LAM-MPI clusters
|
| Versions of package tessa-mpi |
| Release | Version | Architectures |
| sid | 0.3.1-4+b3 | hppa,i386,s390,mipsel,amd64,alpha,sparc,powerpc,ia64 |
| squeeze | 0.3.1-4+b3 | sparc,i386,mipsel,hppa,powerpc,amd64,s390,ia64 |
| squeeze | 0.3.1-4+b2 | mips,armel |
| sid | 0.3.1-4+b2 | mips,armel |
| lenny | 0.3.1-4+b2 | hppa,mipsel,sparc,powerpc,amd64,s390,i386,arm,alpha,ia64 |
| lenny | 0.3.1-4+b1 | mips,armel |
| etch | 0.3.1-4 | mips,amd64,sparc,arm,hppa,s390,i386,powerpc,ia64,mipsel,alpha |
| Debtags of package tessa-mpi: |
| field | physics |
| works-with | 3dmodel |
|
License: DFSG free
|
|
Tessa is a three-dimensional simulation software for optical systems at
the wavelength scale, based on the finite differences time-domain method
(FDTD). It focuses on simulating large, resonating structures, but can
also be used to study propagating beams. It can simulate arbitrary
dielectric and absorbing materials, and can be used on single
workstations as well as clusters.
This package is built with MPI support, using the LAM implementation.
URL: http://alioth.debian.org/projects/tessa/
|
|
|
V-sim
Visualize atomic structures
|
| Versions of package v-sim |
| Release | Version | Architectures |
| sid | 3.5.0-2 | ia64,alpha,amd64,armel,hppa,hurd-i386,i386,mips,mipsel,powerpc,s390,sparc |
| squeeze | 3.5.0-2 | mipsel,hppa,amd64,powerpc,armel,ia64,sparc,mips,i386,s390 |
| lenny | 3.4.0.3-1+b1 | i386 |
| lenny | 3.4.0.3-1 | powerpc,arm,armel,mipsel,ia64,alpha,mips,amd64,s390,hppa,sparc |
| Debtags of package v-sim: |
| field | physics, chemistry |
| interface | x11 |
| role | program |
| scope | application |
| uitoolkit | gtk |
| use | viewing |
| x11 | application |
|
License: DFSG free
|
|
V_Sim visualizes atomic structures such as crystals, grain boundaries,
molecules and so on (either in binary format, or in plain text format).
The rendering is done in pseudo-3D with spheres (atoms) or arrows (spins).
The user can interact through many functions to choose the view, set the
bindings, draw cutting planes, compute surfaces from scalar fields,
duplicate nodes, measure geometry... Moreover V_Sim allows to export the
view as images in PNG, JPG, PDF (bitmap), SVG (scheme) and other formats.
Some tools are also available to colorize atoms from data values or to
animate on screen many position files.
|
|
Official Debian packages with lower relevance
|
Paw-demos
Physics Analysis Workstation examples and tests
|
| Versions of package paw-demos |
| Release | Version | Architectures |
| lenny | 2.14.04.dfsg.2-6 | all |
| sid | 2.14.04.dfsg.2-6 | all |
| squeeze | 2.14.04.dfsg.2-6 | all |
| etch | 2.14.04-7 | all |
| Debtags of package paw-demos: |
| devel | testing-qa, examples |
| field | physics |
| interface | x11, commandline |
| role | program |
| x11 | application |
|
License: DFSG free
|
|
CERNLIB is a suite of data analysis tools and libraries created for
use in physics experiments, but also with applications to other
fields such as the biological sciences.
This package includes example scripts for use by PAW or Paw++, and test
scripts to make sure that the PAW or Paw++ programs behave correctly. You
may run the examples and tests with the included paw-demos program.
|
|
|
Science-mathematics
Debian Science Mathematics packages
|
| Versions of package science-mathematics |
| Release | Version | Architectures |
| sid | 0.8 | all |
| squeeze | 0.7 | all |
| lenny | 0.3 | all |
|
License: DFSG free
|
|
This metapackage will install Debian Science packages related to
Mathematics. You might also be interested in the field::mathematics
debtag and, depending on your focus, in the education-mathematics
metapackage.
|
|
|
Science-statistics
Debian Science Statistics packages
|
| Versions of package science-statistics |
| Release | Version | Architectures |
| sid | 0.8 | all |
| squeeze | 0.7 | all |
| lenny | 0.3 | all |
|
License: DFSG free
|
|
This metapackage is part of the Debian Pure Blend "Debian Science"
and installs packages related to statistics. This task is a general
task which might be useful for any scientific work. It depends from
a lot of R packages as well as from other tools which are useful to
do statistics. Moreover the Science Mathematics task is suggested
to optionally install all mathematics related software.
|
|
|
Scilab-sivp
Scilab Image and Video Processing toolbox
|
| Versions of package scilab-sivp |
| Release | Version | Architectures |
| sid | 0.5.0-5 | alpha,amd64,armel,i386,ia64,mips,mipsel,powerpc,s390,sparc |
| squeeze | 0.5.0-5 | mips,amd64,sparc,armel,mipsel,i386,s390,ia64,powerpc |
|
License: DFSG free
|
|
SIVP intends to do image and video processing tasks.
SIVP is meant to be a useful, efficient, and free image and
video processing toolbox for Scilab.
|
|
Debian packages in contrib or non-free
|
Horae
interactive graphical processing and analysis of EXAFS data
|
| Versions of package horae |
| Release | Version | Architectures |
| sid | 070-1 | all |
| squeeze | 070-1 | all |
| lenny | 066-3 | all |
| etch | 063-3 | all |
| Debtags of package horae: |
| field | physics, chemistry, biology |
| interface | x11 |
| legacy | science |
| scope | suite |
| uitoolkit | tk |
| x11 | application |
|
License: DFSG free, but needs non-free components
|
|
ATHENA is an interactive graphical utility for processing EXAFS data. It
handles most of the common data handling chores of interest, including
deglitching, aligning, merging, background removal, and Fourier transforms.
ARTEMIS is an interactive graphical utility for fitting EXAFS data using
theoretical standards from FEFF and sophisticated data modelling along with
flexible data visualization and statistical analysis.
HEPHAESTUS is a souped up periodic table for the x-ray absorption
spectroscopist. It provides a number of utilities involving tables of
absorption coefficients and other chemical data.
|
|
|
Ifeffit
An interactive program for XAFS analysis
|
| Versions of package ifeffit |
| Release | Version | Architectures |
| etch | 1.3.0-3 | ia64,hppa,sparc,i386,powerpc,mips,arm,amd64 |
| sid | 1.2.11d-3 | armel,ia64,amd64,alpha,mips,mipsel,powerpc,i386,s390 |
| sid | 1.2.11d-1 | sparc |
| lenny | 1.2.10a-5 | alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,sparc |
| sid | 1.2.10a-5 | hppa |
| squeeze | 1.2.10a-5 | sparc,powerpc,hppa,ia64,i386,mips,amd64,mipsel |
| upstream | 1.2.11d |
| Debtags of package ifeffit: |
| field | physics, chemistry, biology |
| interface | x11 |
| legacy | science |
| scope | application |
| uitoolkit | tk |
| x11 | application |
|
License: DFSG free, but needs non-free components
|
|
IFEFFIT is an interactive program for XAFS analysis. It combines the
high-quality analysis algorithms of AUTOBK and FEFFIT with graphical display
of XAFS data and general data manipulation.
IFEFFIT comes as a command-line program, but the underlying functionality is
available as a programming library. The IFEFFIT library can be used from C,
Fortran, Tcl, Perl, and Python. This allows a variety of user interfaces
(both graphical and non-graphical) to be written around IFEFFIT. Currently,
three graphical user interfaces: G.I.FEFFIT, ATHENA/ARTEMIS, and SIXPACK
are built on the underlying IFEFFIT library. IFEFFIT and allthree GUIs are
under active development, but are fairly well tested and ready for use.
|
|
|
Opencascade-tools
OpenCASCADE CAE platform tools
|
| Versions of package opencascade-tools |
| Release | Version | Architectures |
| lenny | 6.2-7 | alpha,amd64,arm,hppa,i386,ia64,powerpc,s390,sparc |
|
License: non-free
|
|
OpenCASCADE is a suite for 3D surface and solid modeling, visualization, data
exchange and rapid application development. It is an excellent platform for
development of numerical simulation software including CAD/CAM/CAE, AEC and
GIS, as well as PDM applications.
This package contains the command-line tools DRAWEXE, wokprocess, woksh.
|
|
|
Sixpack
full-featured package for XAS analysis
|
| Versions of package sixpack |
| Release | Version | Architectures |
| sid | 0.66-3 | all |
| squeeze | 0.66-3 | all |
| lenny | 0.64-2 | all |
| etch | 0.57-4 | all |
|
License: DFSG free, but needs non-free components
|
|
Sam's Interface for XAS Package, or SIXPack for short, is the unification
of the previously named SamXAS and SamView programs into a single analysis
package. Thus the package can guide the user through data averaging and
calibration, background removal, and many aspects of fitting.
|
|
Packaging has started and developers might try the packaging code in VCS
Python toolkit and application for X-ray fluorescence analysis
|
License: GPL-2+
Debian package not available
|
|
PyMCA is an application and Python toolkit for analysis of X-ray
fluorescence spectra.
It can read data files in the SPEC and ESRF data file (EDF) formats.
|
Unofficial packages built by somebody else
|
Clhep2
CLHEP - A Class Library for High Energy Physics
|
License: non-DFSG
|
|
The CLHEP project was proposed by Leif Lönnblad at CHEP 92. It is intended to
be a set of HEP-specific foundation and utility classes such as random
generators, physics vectors, geometry and linear algebra. CLHEP is structured
in a set of packages independent of any external package (interdependencies
within CLHEP are allowed under certain conditions).
|
toolkit for simulation of particle/nuclear physics in detectors
|
License: non-DFSG
|
|
GEANT4 is a toolkit for the simulation of the passage of particles through
matter. Its application areas include high energy physics and nuclear
experiments, medical, accelerator and space physics studies. The GEANT4
software consists of an extensive set of libraries, fundamentally
object-oriented and based in modern C++. It may be used to develop programs
with command-line, Xaw-based, or Motif-based interfaces.
This package is a metapackage that depends upon all components of a
GEANT4 environment. Unless you know exactly what parts of GEANT4
you want, it is best to install this package.
|
No known packages available but some record of interest (WNPP bug)
library for solving large sparse eigenproblems
|
License: BSD
Debian package not available
|
|
BLZPACK (for Block LancZos PACKage, release 04/00) is a standard Fortran 77
implementation of the block Lanczos algorithm intended for the solution of the
standard eigenvalue problem Ax=µx or the generalized eigenvalue problem
Ax=µBx, where A and B are real, sparse symmetric matrices, µ an eigenvalue and
x an eigenvector.
The development of this eigensolver was motivated by the need to solve large,
sparse, generalized problems from free vibration analyses in structural
engineering. Several upgrades were performed afterwards aiming at the solution
of eigenvalues problems from a wider range of applications.
Documentation: user's guide, technical report and comprehensive bibliography.
Install this package if you need to compile or link against BLZPACK.
|
CP2K is a program to perform atomistic and molecular
|
License: GPL
Debian package not available
|
|
simulations of solid state, liquid, molecular and biological
systems. It provides a general framework for different methods such as
e.g. density functional theory (DFT) using a mixed Gaussian and plane
waves approach (GPW), and classical pair and many-body potentials.
|
Geant4 Application for Emission Tomography
|
License: LGPL
Debian package not available
|
|
GATE incorporates the Geant4 libraries in a modular, versatile, and
scripted simulation toolkit which is adapted to the field of nuclear
medicine both in PET (Positron Emission Tomography) and SPECT (Single
Photon Emission Computer Tomography). It allows the accurate description
of time-dependent phenomena such as source or detector movement and
source decay kinetics. The ability to synchronize all time-dependent
components allows a coherent description of the acquisition process. It
makes it possible to perform realistic simulations of data acquisitions
in time.
|
No known packages available
|
Espresso++
Extensible Simulation Package for Research on Soft matter
|
License: Not yet known (hopefully free)
Debian package not available
|
|
ESPResSo is a highly versatile software package for the scientific
simulation and analysis of coarse-grained atomistic or bead-spring
models as they are used in soft matter research, with emphasis on
charged systems.
|
|
Jfreemesh
|
License: QPL
Debian package not available
|
|
JFreeMesh is a 3D mesh library written in Java and providing a high level API
for mesh manipulation. JFreeMesh is based on a descending mesh data structure
but simulate a full connectivity mesh by providing optimized method to access
to any upper mesh element by using the global mesh methods. Therefore,
JFreeMesh allows to load a large amount of mesh elements for a small memory
foot print. JFreeMesh comes with a default mesh loader based on the GMSH file
format and provides, through the JFreeMesh-VTK package, an exporter to VTK.
|
|
Openfoam
Computational fluid dynamics application
|
License: GPL
Debian package not available
|
|
The OpenFOAM (Open Field Operation and Manipulation) CFD Toolbox can
simulate anything from complex fluid flows involving chemical
reactions, turbulence and heat transfer, to solid dynamics,
electromagnetics and the pricing of financial options.
|
|
Pwscf
Electronic structure calculations
|
License: GPL
Debian package not available
|
|
Computer code for electronic-structure calculations within Density-Functional
Theory and Density-Functional Perturbation Theory, using pseudopotentials and a
plane-wave basis set.
|
|
Quantumespresso
Electronic structure calculations
|
License: GPL
Debian package not available
|
|
Integrated suite of computer codes for electronic-structure calculations and
materials modeling at the nanoscale. It is based on density-functional theory,
plane waves, and pseudopotentials (both norm-conserving and ultrasoft).
|
|
Spis
Software toolkit for spacecraft-plasma interactions modelling
|
License: GPL
Debian package not available
|
|
JSPIS stands for Spacecraft Plasma Interaction System. SPIS project aims at
developing a software toolkit for spacecraft-plasma interactions modelling.
|
|