Summary
Nanoscale Physics Development
Debian Science Nanoscale Physics development packages
This metapackage will install Debian Science packages which might be
helpful for the development of applications for Nanoscale Physics.
You might also be interested in the debtag field::physics and, depending
on your focus, in the nanoscale-physics, physics and education-physics
metapackages.
Description
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
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Debian Science Nanoscale Physics Development packages
Official Debian packages with high relevance
abinit-doc
Paket für elektronische Strukturberechnungen (Dokumentation)
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Versions of package abinit-doc |
Release | Version | Architectures |
bookworm | 9.6.2-1 | all |
bullseye | 9.2.2-1 | all |
buster | 8.8.4-2 | all |
stretch | 8.0.8-1 | all |
jessie | 7.8.2-2 | all |
sid | 9.10.4-3 | all |
upstream | 10.3.3 |
Debtags of package abinit-doc: |
made-of | html, pdf, tex |
role | documentation |
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License: DFSG free
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Das Hauptprogramm des Pakets ABINIT ermöglicht dem Benutzer, die
Gesamtenergie, Ladungsdichte und elektronische Struktur eines
Systems aus Elektronen und Kernen (Moleküle und periodische
Festkörper) zu bestimmen, innerhalb der Dichtefunktionstheorie
(DFT), mit Hilfe von Pseudopotentialen und ebenen Wellen.
ABINIT enthält auch Optionen zum Optimieren der Geometrie gemäß
DFT-Kräften und -Beanspruchungen oder um molekulardynamische Simulationen
mit diesen Kräften durchzuführen oder um dynamische Matrizen, effektive
Born-Ladungen und dielektrische Tensoren zu generieren. Anregungszustände
können mit der zeitabhängigen Dichtefunktionstheorie (für Moleküle) oder
mit der Vielkörper-Störungstheorie (die GW-Näherung) berechnet werden.
Zusätzlich zum Hauptcode von ABINIT werden verschiedene Werkzeuge
mitgeliefert.
Dieses Paket enthält die Dokumentation und Anleitungen (Tutorials).
Please cite:
X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Côté, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D.R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M. J. T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. J. Verstraete, G. Zerah and J. W. Zwanziger:
ABINIT: First-principles approach to material and nanosystem properties.
(eprint)
Comput. Phys. Commun.
180(12):2582-2615
(2009)
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gsl-bin
GNU Scientific Library -- Programmpaket
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Versions of package gsl-bin |
Release | Version | Architectures |
sid | 2.8+dfsg-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 2.8+dfsg-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm-proposed-updates | 2.7.1+dfsg-5+deb12u1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 2.7.1+dfsg-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 2.3+dfsg-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 2.6+dfsg-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye-security | 2.6+dfsg-2+deb11u1 | amd64,arm64,armhf,i386 |
jessie | 1.16+dfsg-2 | amd64,armel,armhf,i386 |
buster-security | 2.5+dfsg-6+deb10u1 | amd64,arm64,armhf,i386 |
buster | 2.5+dfsg-6 | amd64,arm64,armhf,i386 |
Debtags of package gsl-bin: |
devel | lang:c |
field | mathematics |
interface | commandline |
role | program |
scope | utility |
suite | gnu |
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License: DFSG free
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Die GNU Scientific Library (GSL) ist eine Programmsammlung für numerische
Analysen. Das GSL-Team hat die Programme von Grund auf in C
geschrieben. Die Bibliothek enthält eine moderne Schnittstelle für
C-Programmierer, bietet aber auch die Möglichkeit, Wrapper für hoch
entwickelte Programmiersprachen zu schreiben.
Dieses Paket stellt diverse Beispielprogramme bereit.
URL: http://www.gnu.org/software/gsl/
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libblas-dev
Basic Linear Algebra Subroutines 3, statische Bibliothek
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Versions of package libblas-dev |
Release | Version | Architectures |
stretch | 3.7.0-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 3.8.0-2 | amd64,arm64,armhf,i386 |
jessie | 1.2.20110419-10 | amd64,armel,armhf,i386 |
trixie | 3.12.0-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 3.11.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 3.12.0-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 3.9.0-3+deb11u1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package libblas-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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Dieses Paket ist ein binär nicht kompatibles Upgrade des Pakets blas-dev.
Mehrere geringfügige Änderungen an der C-Schnittstelle wurden berücksichtigt.
BLAS (Basic Linear Algebra Subroutines) ist eine Sammlung von effizienten
Routinen für die Mehrzahl der grundlegenden Vektor- und Matrizenoperationen.
Sie werden häufig als Basis für andere qualitativ hochwertige Software für
Lineare Algebra, z.B. lapack und linpack, verwendet. Diese Implementierung
ist die bei netlib erhältliche Fortran-77-Referenzimplementierung.
Dieses Paket enthält eine statische Version der Bibliothek.
Please cite:
E. Anderson, Z. Bai, C. Bischof, S. Blackford, J. Demmel, J. Dongarra, J. Du Croz, A. Greenbaum, S. Hammarling, A. McKenney and D. Sorensen:
LAPACK Users' Guide
(1999)
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libcbf-dev
development files for CBFlib
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Versions of package libcbf-dev |
Release | Version | Architectures |
trixie | 0.9.7+dfsg1-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 0.9.7+dfsg1-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.9.6+dfsg1-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 0.9.5.18+dfsg1-1 | amd64,arm64,armhf,i386 |
stretch | 0.9.2.2-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 0.9.2.2-1 | amd64,armel,armhf,i386 |
sid | 0.9.7+dfsg1-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package libcbf-dev: |
devel | library |
field | biology:structural |
hardware | scanner |
role | devel-lib |
works-with | image, image:raster |
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License: DFSG free
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CBFLIB is a library of ANSI-C functions providing a simple mechanism for
accessing Crystallographic Binary Files (CBF files) and Image-supporting
CIF (imgCIF) files. The CBFLIB API is loosely based on the CIFPARSE API for
mmCIF files. CBFLIB does not perform any semantic integrity checks and
simply provides functions to create, read, modify and write CBF
binary data files and imgCIF ASCII data files.
This package contains libraries and header files for program development.
The package is enhanced by the following packages:
cbflib-doc
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libccp4-dev
CCP4 core functionality - development files
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Versions of package libccp4-dev |
Release | Version | Architectures |
bookworm | 8.0.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 8.0.0-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster | 6.5.1-1 | amd64,arm64,armhf,i386 |
stretch | 6.4.5-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 6.4.5-2 | amd64,armel,armhf,i386 |
bullseye | 6.5.1-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 8.0.0-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package libccp4-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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The CCP4 software suite is based around a library of routines which
cover common tasks, such as file opening, parsing keyworded input,
reading and writing of standard data formats, applying symmetry
operations, etc. Programs in the suite call these routines which, as
well as saving the programmer some effort, ensure that the varied
programs in the suite have a similar look-and-feel.
The library contains several sub components:
-
CMTZ library -- Contains a variety of functions for manipulating
the data structure, for example adding crystals, datasets or
columns. The data structure can be dumped to an output MTZ data
file.
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CMAP library -- Functions defining the C-level API for accessing
CCP4 map files.
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CSYM library -- a collection of functions centered around a data
file syminfo.lib which is auto-generated from sgtbx (the Space
Group Toolbox of cctbx).
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CCP4 utility library -- many utility functions which either give
specific CCP4 or platform independent functionality.
-
CCP4 Parser library -- provides CCP4-style parsing, as used for
processing keywords of CCP4 programs, MTZ header records, etc.
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CCP4 resizable arrays -- defines an object and methods which looks
just like a simple C array, but can be resized at will without
incurring excessive overheads.
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libcctbx-dev
Computational Crystallography Toolbox - headers
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Versions of package libcctbx-dev |
Release | Version | Architectures |
bookworm | 2022.9+ds2+~3.11.2+ds1-6 | amd64,arm64,ppc64el,s390x |
trixie | 2024.10+ds2+~3.22.1+ds1-4 | amd64,arm64,ppc64el,riscv64,s390x |
sid | 2024.10+ds2+~3.22.1+ds1-4 | amd64,arm64,ppc64el,riscv64,s390x |
upstream | 2024.11+~3.22.1 |
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License: DFSG free
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Computational Crystallography Toolbox contains following modules:
- annlib_adaptbx:
- boost_adaptbx: wrappers for Boost functionality in CCTBX
- cbflib_adaptbx:
- ccp4io_adaptbx:
- cctbx: Libraries for general crystallographic applications,
useful for both small-molecule and macro-molecular
crystallography.
- cma_es:
- crys3d: Modules for the display of molecules, electron density,
and reciprocal space data.
- dxtbx: The Diffraction Image Toolbox, a library for handling
X-ray detector data of arbitrary complexity from a variety
of standard formats.
- fable: Fortran EMulation library for porting Fortran77 to C++.
- gltbx: Python bindings for OpenGL
- iotbx: Working with common crystallographic file formats.
- libtbx: The build system common to all other modules. This includes
a very thin wrapper around the SCons software construction tool.
It also contains many useful frameworks and utilities to simplify
application development, including tools for regression testing,
parallelization across multiprocessor systems and managed clusters,
and a flexible, modular configuration syntax called PHIL
(Python Hierarchial Interface Language) used throughout the CCTBX.
- mmtbx: Functionality specific to macromolecular crystallography.
This includes all of the machinery required for setup of
geometry restraints, bulk solvent correction and scaling,
analysis of macromolecular diffraction data, calculation of
weighted map coefficients, and most of the methods implemented
in phenix.refine. The majority of infrastructure for the MolProbity
validation server (and Phenix equivalent) is also located here.
- omptbx: OpenMP interface.
- rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
diffraction, given the reciprocal space vectors.
- scitbx: General scientific calculations. his includes a family of
high-level C++ array types, a fast Fourier transform library,
and a C++ port of the popular L-BFGS quasi-Newton minimizer.
- smtbx: Small-Molecule crystallography.
- spotfinder:
- tbxx:
- wxtbx: wxPython controls used in the Phenix GUI and various
utilities
This package provide everythings needed to link against the cctbx libraries.
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libcexceptions-dev
C exception handling library (development files)
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Versions of package libcexceptions-dev |
Release | Version | Architectures |
bookworm | 3.7.0+dfsg-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 2.3+dfsg-3 | amd64,arm64,armhf,i386 |
sid | 3.10.0+dfsg-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 3.10.0+dfsg-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 3.1.0+dfsg-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
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License: DFSG free
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Wrappers for C functions, allowing usage of try ... catch ... blocks
in C language. Wrapped functions include memory allocation, standard
I/O and strdup.
This package contains static library and header files.
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libclipper-dev
object oriented development kit for crystallographic computing
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Versions of package libclipper-dev |
Release | Version | Architectures |
stretch | 2.1.20130601-2.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 2.1.20160809-2 | amd64,arm64,armhf,i386 |
bullseye | 2.1.20201109-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 2.1.20201109-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 2.1.20201109-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 2.1.20201109-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 2.1.20130601-2 | amd64,armel,armhf,i386 |
Debtags of package libclipper-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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The aim of the clipper project is to produce a set of object-oriented
libraries for the organisation of crystallographic data and the
performance of crystallographic computation.
This package contains development environment for programs which will
use the clipper libraries.
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libcod-precision-perl
COD precision handling module for Perl language
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Versions of package libcod-precision-perl |
Release | Version | Architectures |
buster | 2.3+dfsg-3 | all |
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License: DFSG free
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COD::Precision, module for handling precision in Crystallographic
Information Format (CIF) notation, expressed as standard uncertainties
in parentheses next to the value.
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libcoordgen-dev
2D coordinate generation for chemical compounds - header files
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Versions of package libcoordgen-dev |
Release | Version | Architectures |
sid | 3.0.2-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 3.0.2-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 1.4.2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 3.0.1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
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License: DFSG free
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This package provides the Open Source release of Schroedinger's routines
for the 2D coordinate representation of chemical compounds.
This package provides header files for developing against the API of that
library.
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libetsf-io-dev
Static libraries and Fortran module files of ETSF_IO
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Versions of package libetsf-io-dev |
Release | Version | Architectures |
buster | 1.0.4-4 | amd64,arm64,armhf,i386 |
trixie | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 1.0.3-4 | amd64,armel,armhf,i386 |
bullseye | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 1.0.4-1.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
Debtags of package libetsf-io-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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ETSF_IO is a library of F90 routines to read/write the ETSF file format.
This package contains the static libraries provided by ETSF_IO to let
electronic structure codes read and write ETSF files. It also contains
the module file used by the Fortran compiler.
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libetsf-io-doc
Developer documentation API and tutorials for ETSF_IO
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Versions of package libetsf-io-doc |
Release | Version | Architectures |
buster | 1.0.4-4 | all |
jessie | 1.0.3-4 | all |
stretch | 1.0.4-1.1 | all |
bullseye | 1.0.4-5 | all |
bookworm | 1.0.4-5 | all |
trixie | 1.0.4-5 | all |
sid | 1.0.4-5 | all |
Debtags of package libetsf-io-doc: |
devel | doc, examples |
made-of | html |
role | documentation |
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License: DFSG free
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ETSF_IO is a library of F90 routines to read/write the ETSF file format.
This Package contains the HTML documentation of the API and some tutorials
on how to use the library in electronic structure codes.
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libfftw3-dev
Bibliothek für schnelle Fourier-Transformationen - Entwicklung
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Versions of package libfftw3-dev |
Release | Version | Architectures |
jessie | 3.3.4-2 | amd64,armel,armhf,i386 |
stretch | 3.3.5-3 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 3.3.8-2 | amd64,arm64,armhf,i386 |
bullseye | 3.3.8-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 3.3.10-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 3.3.10-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 3.3.10-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package libfftw3-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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Die Bibliothek FFTW berechnet ein- oder mehrdimensionale schnelle
Fourier-Transformationen (FFT). Sie ist extrem schnell. Dieses Paket
enthält die statisch gelinkte Bibliothek, Header-Dateien und
Testprogramme.
Dieses Paket enthält die Header-Dateien und statischen Bibliotheken. Die
Dokumentation ist im Paket libfftw3-doc enthalten.
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libgsl0-dev
??? missing short description for package libgsl0-dev :-(
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Versions of package libgsl0-dev |
Release | Version | Architectures |
jessie | 1.16+dfsg-2 | amd64,armel,armhf,i386 |
Debtags of package libgsl0-dev: |
devel | lang:c, library |
field | mathematics |
role | devel-lib |
suite | gnu |
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License: DFSG free
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libhdf5-dev
Hierarchisches Datenformat 5 (HDF5) - Entwicklungsdateien - serielle Version
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Versions of package libhdf5-dev |
Release | Version | Architectures |
jessie-security | 1.8.13+docs-15+deb8u1 | amd64,armel,armhf,i386 |
bookworm | 1.10.8+repack1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
experimental | 1.14.5+repack-1~exp6 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.10.10+repack-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 1.8.13+docs-15+deb8u1 | amd64,armel,armhf,i386 |
buster | 1.10.4+repack-10 | amd64,arm64,armhf,i386 |
stretch | 1.10.0-patch1+docs-3+deb9u1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster-security | 1.10.4+repack-10+deb10u1 | amd64,arm64,armhf,i386 |
bullseye | 1.10.6+repack-4+deb11u1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.10.10+repack-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
upstream | 1.14.3 |
Debtags of package libhdf5-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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Hierarchical Data Format 5 (HDF5) ist ein Dateiformat und eine Bibliothek,
um wissenschaftliche Daten zu speichern. HDF5 wurde entworfen und
entwickelt, um die Unzulänglichkeiten von HDF4.x anzugehen. Es unterstützt
Dateien größer als 2 GB und parallele Ein-/Ausgabe. Das Datenformat ist
mächtiger und flexibler.
Dieses Paket enthält Entwicklungsdateien für serielle Plattformen.
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libhepmc3-dev
Event Record for Monte Carlo Generators - development files
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Versions of package libhepmc3-dev |
Release | Version | Architectures |
bullseye | 3.1.2-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 3.1.2-2 | i386 |
bookworm | 3.1.2-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 3.1.2-2.1 | amd64,arm64,armel,armhf,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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The HepMC package is an object oriented event record written in C++ for
High Energy Physics Monte Carlo Generators.
Many extensions from HEPEVT, the Fortran HEP standard, are supported: the
number of entries is unlimited, spin density matrices can be stored with
each vertex, flow patterns (such as color) can be stored and traced,
integers representing random number generator states can be stored, and an
arbitrary number of event weights can be included. Particles and vertices
are kept separate in a graph structure, physically similar to a physics
event.
The added information supports the modularisation of event generators.
Event information is accessed by means of iterators supplied with the
package.
This package provides development files for HepMC3.
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libkim-api-dev
Development files for KIM-API
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Versions of package libkim-api-dev |
Release | Version | Architectures |
sid | 2.3.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster-backports | 2.2.1-1~bpo10+1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 2.2.1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 2.3.0-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 2.3.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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The KIM API is an Application Programming Interface for atomistic simulations.
The API provides a standard for exchanging information between atomistic
simulation codes (molecular dynamics, molecular statics, lattice dynamics,
Monte Carlo, etc.) and interatomic models (potentials or force fields).
It also includes a set of library routines for using the API with
bindings for:
FORTRAN 77, Fortran 90/95, Fortran 2003
C, C++
Atomistic simulation codes that support the KIM API work seamlessly with the
KIM-compliant interatomic models (KIM Models) distributed on this website.
The interface is computationally efficient and often requires relatively minor
changes to existing codes.
This package contains the development files (headers and documentation) for
KIM-API.
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liblapack-dev
Bibliothek mit Routinen zur linearen Algebra, Version 3 - statische Version
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Versions of package liblapack-dev |
Release | Version | Architectures |
sid | 3.12.0-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 3.5.0-4 | amd64,armel,armhf,i386 |
stretch | 3.7.0-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 3.8.0-2 | amd64,arm64,armhf,i386 |
bullseye | 3.9.0-3+deb11u1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 3.11.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 3.12.0-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package liblapack-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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LAPACK in der Version 3.0 ist eine umfassende FORTRAN-Bibliothek für
Operationen der linearen Algebra, wie z.B. Matrizeninvertierung, Lösung
von linearen Gleichungssystemen mit der Methode der kleinsten Quadrate,
Eigenwertanalyse, Singulärwertzerlegung usw. Es ist ein sehr umfassendes
und angesehenes Paket, das umfangreiche Verwendung in der wissenschaftlichen
Gemeinschaft gefunden hat.
Dieses Paket enthält eine statische Version der Bibliothek.
Please cite:
E. Anderson, Z. Bai, C. Bischof, S. Blackford, J. Demmel, J. Dongarra, J. Du Croz, A. Greenbaum, S. Hammarling, A. McKenney and D. Sorensen:
LAPACK Users' Guide
(1999)
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liblapack-doc
Bibliothek mit Routinen zur linearen Algebra 3 - Dokumentation
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Versions of package liblapack-doc |
Release | Version | Architectures |
buster | 3.8.0-2 | all |
bullseye | 3.9.0-3+deb11u1 | all |
stretch | 3.7.0-2 | all |
sid | 3.12.0-4 | all |
jessie | 3.5.0-4 | all |
trixie | 3.12.0-4 | all |
bookworm | 3.11.0-2 | all |
Debtags of package liblapack-doc: |
devel | lang:fortran |
made-of | html, postscript |
role | documentation |
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License: DFSG free
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LAPACK in der Version 3.0 ist eine umfassende FORTRAN-Bibliothek für
Operationen der linearen Algebra, wie z.B. Matrizeninvertierung, Lösung
von linearen Gleichungssystemen mit der Methode der kleinsten Quadrate,
Eigenwertanalyse, Singulärwertzerlegung usw. Es ist ein sehr umfassendes
und angesehenes Paket, das umfangreiche Verwendung in der wissenschaftlichen
Gemeinschaft gefunden hat.
Dieses Paket enthält:
- die Handbuchseiten der BLAS- und LAPACK-Routinen,
- das LAPACK-Benutzerhandbuch (in HTML),
-das Handbuch für LAPACKE, die C-Schnittstelle zu LAPACK (in PDF).
Please cite:
E. Anderson, Z. Bai, C. Bischof, S. Blackford, J. Demmel, J. Dongarra, J. Du Croz, A. Greenbaum, S. Hammarling, A. McKenney and D. Sorensen:
LAPACK Users' Guide
(1999)
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libmaeparser-dev
Development files to parse Schrödinger Maestro files
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Versions of package libmaeparser-dev |
Release | Version | Architectures |
bookworm | 1.3.0-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.2.4-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.3.1-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.3.1-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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This package provides header files to develop one's own software
that uses a library wth an Open Source parser for Maestro (.mae)
files.
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libmctc-lib-dev
modular computation tool chain library (development files)
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Versions of package libmctc-lib-dev |
Release | Version | Architectures |
trixie | 0.3.2-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 0.3.1-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 0.3.2-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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Common tool chain for working with molecular structure data in various
applications. This library provides a unified way to perform operations on
molecular structure data, like reading and writing to common geometry file
formats.
This package contains development files.
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libmmdb2-dev
macromolecular coordinate library - development files
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Versions of package libmmdb2-dev |
Release | Version | Architectures |
sid | 2.0.22-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 2.0.22-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster | 2.0.5-1 | amd64,arm64,armhf,i386 |
bookworm | 2.0.22-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 2.0.5-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
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License: DFSG free
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MMDB is designed to assist developers in working with macromolecular
coordinate files. The library handles both PDB and mmCIF format files.
The Library also features an internal binary format, portable between
different platforms. This is achieved at uniformity of the Library's
interface functions, so there is no difference in handling different
formats.
MMDB provides various high-level tools for working with coordinate files,
including reading and writing, orthogonal-fractional transforms,
generation of symmetry mates, editing the molecular structure and more.
This package contains library and header files needed for program
development.
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libmpich-dev
Development files for MPICH
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Versions of package libmpich-dev |
Release | Version | Architectures |
jessie | 3.1-5 | amd64,armel,armhf,i386 |
buster | 3.3-3 | amd64,arm64,armhf,i386 |
bookworm | 4.0.2-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 3.2-7 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 3.4.1-5~deb11u1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
experimental | 4.2.1-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 4.2.1-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 4.2.0-14 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
upstream | 4.2.3 |
Debtags of package libmpich-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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MPICH is a high-performance and widely portable implementation of the
MPI-3.1 standard from the Argonne National Laboratory.
It efficiently supports different computation and communication platforms
including commodity clusters, SMPs, massively parallel systems, and
high-speed networks.
This release has all MPI 3.1 functions and features required by the standard
with the exception of support for the "external32" portable I/O format and
user-defined data representations for I/O.
This package includes the MPICH headers and static libraries, as well
as the compiler wrappers needed to build MPICH programs.
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libncrystal-dev
Monte Carlo simulations of neutrons in crystals (dev files)
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Versions of package libncrystal-dev |
Release | Version | Architectures |
sid | 3.4.1+ds1-1.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 3.4.1+ds1-1.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 3.4.1+ds1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
upstream | 3.9.7 |
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License: DFSG free
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This is a source distribution of NCrystal, a library and associated
tools which enables calculations for Monte Carlo simulations of
thermal neutrons in crystals.
This package contains the development files.
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libnetcdf-dev
Erstellung, Zugriff und Weitergabe wissenschaftlicher Daten
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Versions of package libnetcdf-dev |
Release | Version | Architectures |
experimental | 4.9.3~rc2-1~exp1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 4.1.3-7.2 | amd64,armel,armhf,i386 |
stretch | 4.4.1.1-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 4.6.2-1 | amd64,arm64,armhf,i386 |
bullseye | 4.7.4-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 4.9.0-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 4.9.2-7 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 4.9.2-7 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
upstream | 4.9.3~rc2 |
Debtags of package libnetcdf-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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NetCDF (Network Common Data Form) ist eine Reihe von Schnittstellen für
den array-orientierten Datenzugriff und eine frei verteilte Sammlung von
Datenzugriffsbibliotheken für C, Fortran, C++, Java und weitere Sprachen.
Die NetCDF-Bibliotheken unterstützen ein maschinenunabhängiges Format
zur Darstellung wissenschaftlicher Daten. Zusammen unterstützen die
Schnittstellen, Bibliotheken und das Format die Erstellung, den
Zugriff auf und den Austausch wissenschaftlicher Daten.
Dieses Paket enthält Header.
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libnexus-dev
Dateiformat für wissenschaftliche Daten - Entwicklungsbibliotheken
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Versions of package libnexus-dev |
Release | Version | Architectures |
bullseye | 4.4.3-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 4.4.3-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 4.4.3-6 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 4.4.3-6 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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NeXus ist ein gängiges Datenformat für die Neutronen-, Röntgen- und
Myonenforschung. Es wird von Wissenschaftlern und Programmierern, die
wichtige wissenschaftliche Einrichtungen in Europa, Asien, Australien und
Nordamerika vertreten, als internationaler Standard entwickelt, um eine
engere Zusammenarbeit bei der Analyse und Visualisierung von Neutronen-,
Röntgen- und Myonendaten zu ermöglichen.
Dies ist das Paket, das die Entwicklungsbibliotheken enthält.
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libnexus-java
Dateiformat für wissenschaftliche Daten - Java-Bibliotheken
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Versions of package libnexus-java |
Release | Version | Architectures |
bookworm | 4.4.3-5 | all |
sid | 4.4.3-6 | all |
bullseye | 4.4.3-5 | all |
trixie | 4.4.3-6 | all |
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License: DFSG free
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NeXus ist ein gängiges Datenformat für die Neutronen-, Röntgen- und
Myonenforschung. Es wird von Wissenschaftlern und Programmierern, die
wichtige wissenschaftliche Einrichtungen in Europa, Asien, Australien und
Nordamerika vertreten, als internationaler Standard entwickelt, um eine
engere Zusammenarbeit bei der Analyse und Visualisierung von Neutronen-,
Röntgen- und Myonendaten zu ermöglichen.
Dieses Paket enthält die Java-Bibliotheken.
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liboce-ocaf-dev
??? missing short description for package liboce-ocaf-dev :-(
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Versions of package liboce-ocaf-dev |
Release | Version | Architectures |
bookworm | 0.18.3-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 0.18.2-3 | amd64,arm64,armhf,i386 |
jessie | 0.15-5 | amd64,armel,armhf,i386 |
bullseye | 0.18.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 0.17.2-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
Debtags of package liboce-ocaf-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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liboce-visualization-dev
??? missing short description for package liboce-visualization-dev :-(
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Versions of package liboce-visualization-dev |
Release | Version | Architectures |
buster | 0.18.2-3 | amd64,arm64,armhf,i386 |
bookworm | 0.18.3-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 0.17.2-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.18.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 0.15-5 | amd64,armel,armhf,i386 |
Debtags of package liboce-visualization-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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libopenmpi-dev
Leistungsstarke Message-Passing-Bibliothek - Header-Dateien
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Versions of package libopenmpi-dev |
Release | Version | Architectures |
bookworm | 4.1.4-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 2.0.2-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
sid | 5.0.6-3 | amd64,arm64,mips64el,ppc64el,riscv64,s390x |
jessie | 1.6.5-9.1+deb8u1 | amd64,armel,armhf,i386 |
buster | 3.1.3-11 | amd64,arm64,armhf,i386 |
trixie | 5.0.6-3 | amd64,arm64,mips64el,ppc64el,riscv64,s390x |
bullseye | 4.1.0-10 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package libopenmpi-dev: |
admin | cluster |
devel | lang:c, library |
field | mathematics |
role | devel-lib, shared-lib |
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License: DFSG free
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Das Projekt Open MPI kombiniert Methoden und Ressourcen aus mehreren anderen
Projekten (FT-MPI, LA-MPI, LAM/MPI und PACX-MPI), um die beste verfügbare
MPI-Bibliothek (Message Passing Interface) zu verwirklichen. Als eine völlig
neue, MPI-3-konforme Umsetzung bietet Open MPI Vorteile für System- und
Software-Hersteller, Anwendungsentwickler und forschende Informatiker.
Dieses Paket enthält erforderliche Header und Compiler-Wrapper, mit denen
Programme gegen libopenmpi kompiliert und gelinkt werden können.
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libroot-math-mlp-dev
??? missing short description for package libroot-math-mlp-dev :-(
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Versions of package libroot-math-mlp-dev |
Release | Version | Architectures |
jessie | 5.34.19+dfsg-1.2 | amd64,armel,armhf,i386 |
Debtags of package libroot-math-mlp-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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libroot-montecarlo-vmc-dev
??? missing short description for package libroot-montecarlo-vmc-dev :-(
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Versions of package libroot-montecarlo-vmc-dev |
Release | Version | Architectures |
jessie | 5.34.19+dfsg-1.2 | amd64,armel,armhf,i386 |
Debtags of package libroot-montecarlo-vmc-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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libroot-tmva-dev
??? missing short description for package libroot-tmva-dev :-(
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Versions of package libroot-tmva-dev |
Release | Version | Architectures |
jessie | 5.34.19+dfsg-1.2 | amd64,armel,armhf,i386 |
Debtags of package libroot-tmva-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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libscalapack-mpi-dev
Scalable Linear Algebra Package - Dev files for MPI
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Versions of package libscalapack-mpi-dev |
Release | Version | Architectures |
trixie | 2.2.1-7 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 1.8.0-12 | amd64,armel,armhf,i386 |
stretch | 1.8.0-13 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 2.0.2-7 | amd64,arm64,armhf,i386 |
bullseye | 2.1.0-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 2.2.1-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 2.2.1-7 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package libscalapack-mpi-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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ScaLAPACK is the parallel version of LAPACK used on clusters.
There are packages for the shared libraries, for the static libraries and
the development files (this one) and for test programs.
Also included:
- PBLAS, Parallel Basic Linear Algebra Subprograms
- BLACS, Basic Linear Algebra Communication Subprograms
This is a dummy package which depends on the scalapack development package
supporting the default implementation of MPI on this architecture.
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libsis-jhdf5-java
??? missing short description for package libsis-jhdf5-java :-(
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Versions of package libsis-jhdf5-java |
Release | Version | Architectures |
bullseye | 19.04.0+dfsg-4 | all |
bookworm | 19.04.1+dfsg-3 | all |
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License: DFSG free
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libspfft-dev
Sparse 3D FFT library with MPI, OpenMP, CUDA / ROCm support (development files)
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Versions of package libspfft-dev |
Release | Version | Architectures |
bookworm | 1.0.6-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.9.13-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 1.1.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 1.1.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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SpFFT was originally intended for transforms of data with spherical cutoff in
frequency domain, as required by some computational material science codes.
For distributed computations, SpFFT uses a slab decomposition in space domain
and pencil decomposition in frequency domain (all sparse data within a pencil
must be on one rank). If desired, the library can be compiled without any
parallelization (MPI, OpenMP, CUDA / ROCm).
This package contains development files.
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libssm-dev
Bibliothek zur Überlagerung von Makromolekülen - Entwicklungsdateien
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Versions of package libssm-dev |
Release | Version | Architectures |
bookworm | 1.4.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 1.4.0-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 1.4.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.4.0-1 | amd64,arm64,armhf,i386 |
jessie | 1.3-2 | amd64,armel,armhf,i386 |
sid | 1.4.0-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package libssm-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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SSM ist eine Koordinatenüberlagerungsbibliothek für Makromoleküle,
die von Eugene Krissinel vom EBI geschrieben wurde.
Die Bibliothek implementiert den SSM-Algorithmus des
Protein-Strukturvergleichs in drei Dimensionen, der ein ursprüngliches
Verfahren zum Abgleichen von Graphen umfasst, die auf den
Sekundärstruktur-Elementen des Proteins basieren, gefolgt von einer
iterativen dreidimensionalen Ausrichtung der Calpha-Atome des
Proteinrückgrats.
Dieses Paket enthält Bibliotheken und Header-Dateien, die
für die Programmentwicklung benötigt werden.
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libsymspg-dev
C library for crystal symmetry determination (development files)
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Versions of package libsymspg-dev |
Release | Version | Architectures |
buster | 1.12.2-1 | amd64,arm64,armhf,i386 |
bookworm | 2.0.2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.16.1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 2.5.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 2.5.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
|
License: DFSG free
|
Spglib is a C library for crystal symmetry determination. Symmetry
operations, space groups and other data can be obtained using this
symmetry finder.
Features include:
- Identify space-group type
- Find symmetry operations
- Find a primitive cell
- Search irreducible k-points
- Refine crystal structure
- Wyckoff position assignment
This package contains static library and header files.
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libufo-dev
Library for high-performance, GPU-based computing - devel
|
Versions of package libufo-dev |
Release | Version | Architectures |
bookworm | 0.16.0.52.gbd831ab-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 0.15.1-1 | amd64,arm64,armhf,i386 |
stretch | 0.13.0-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
trixie | 0.16.0.52.gbd831ab-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 0.16.0.52.gbd831ab-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 0.16.0.52.gbd831ab-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
upstream | 0.16.0.53.gce7118b |
|
License: DFSG free
|
The UFO data processing framework is a C library suited to build
general purpose streams data processing on heterogeneous
architectures such as CPUs, GPUs or clusters. It is extensively used
at the Karlsruhe Institute of Technology for Ultra-fast X-ray Imaging
(radiography, tomography and laminography).
A gobject-instrospection binding is also provided to write scripts or
user interfaces.
This package contain the development files for libufo.
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libxc-dev
Library of Exchange-Correlation Functionals (development files)
|
Versions of package libxc-dev |
Release | Version | Architectures |
jessie | 2.1.1-1 | amd64,armel,armhf,i386 |
sid | 5.2.3-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
experimental | 7.0.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 5.2.3-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
stretch | 3.0.0-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bookworm | 5.2.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 4.2.3-3 | amd64,arm64,armhf,i386 |
bullseye | 4.3.4-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package libxc-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
|
LibXC is a library of exchange-correlation (XC) functionals for
density-functional theory (DFT). The aim is to provide a portable, well
tested and reliable set of exchange and correlation functionals that
can be used by other codes.
This package contains the static library, the C headers and the Fortran
modules necessary for developers.
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netcdf-doc
|
Versions of package netcdf-doc |
Release | Version | Architectures |
buster | 4.6.2-1 | all |
experimental | 4.9.3~rc2-1~exp1 | all |
sid | 4.9.2-7 | all |
trixie | 4.9.2-7 | all |
bookworm | 4.9.0-3 | all |
bullseye | 4.7.4-1 | all |
stretch | 4.4.1.1-2 | all |
jessie | 4.1.3-7.2 | all |
upstream | 4.9.3~rc2 |
Debtags of package netcdf-doc: |
made-of | html, info, postscript |
role | documentation |
|
License: DFSG free
|
NetCDF (Network Common Data Form) ist eine Schnittstelle für den Zugriff auf
wissenschaftliche Daten und eine frei verteilte Softwarebibliothek, die eine
Implementierung dieser Schnittstelle bereitstellt. Die netCDF-Bibliothek
definiert außerdem ein maschinenunabhängiges Format für die Repräsentation
wissenschaftlicher Daten. Gemeinsam unterstützen die Schnittstelle, die
Bibliothek und das Format die Erstellung und die gemeinsame Nutzung
wissenschaftlicher Daten sowie den Zugriff darauf.
Dieses Paket enthält Dokumentation für die NetCDF-Bibliothek
in verschiedenen Formaten.
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pyfai
Skripte zur schnellen azimuthalen Integration
|
Versions of package pyfai |
Release | Version | Architectures |
stretch-backports | 0.15.0+dfsg1-1~bpo9+1 | all |
stretch | 0.13.0+dfsg-1 | all |
jessie | 0.10.2-1 | amd64,armel,armhf,i386 |
buster | 0.17.0+dfsg1-3 | all |
bookworm-backports | 2023.9.0-1~bpo12+1 | all |
trixie | 2024.05-3 | all |
buster-backports | 0.19.0+dfsg1-3~bpo10+1 | all |
sid | 2024.05-3 | all |
bullseye | 0.20.0+dfsg1-3 | all |
bookworm | 0.21.3+dfsg1-4 | all |
upstream | 2024.09 |
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License: DFSG free
|
PyFAI ist eine Python-Bibliothek für die azimuthale Integration. Sie
ermöglicht die Umwandlung von Beugungsbildern, die mit 2D-Detektoren wie
CCD-Kameras aufgenommen werden, in Röntgenpulvermuster, die von anderen
Softwarewerkzeugen wie beispielsweise zur Rietveld-Veredelung (z.B.
FullProf), Phasenanalyse oder Texturanalyse verwendet werden können.
Da PyFAI eine Bibliothek ist, ist ihr Hauptziel die Integration in andere
Werkzeuge wie PyMca, LiMa oder EDNA. Um eine Online-Datenanalyse durchführen
zu können, muss die genaue Beschreibung des Versuchsaufbaus bekannt sein.
Aus diesem Grund enthält PyFAI auch Code zur Optimierung von Geometrie an
»Puderringen« von Referenzproben. Alternativ kann PyFAI auch Geometrien
importieren, die mit anderen Werkzeugen wie Fit2D angepasst wurden.
PyFAI wurde entwickelt, um mit jeder Art von Detektor mit jeder Geometrie
(Übertragung, Reflexion, Off-Axis, …) zu arbeiten. Die Software verwendet
die Python-Bibliothek FabIO, um die meisten Bilder zu lesen, die von
Diffraktometern aufgenommen wurden.
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python3-binoculars
Surface X-ray diffraction 2D detector data reduction - Python3
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Versions of package python3-binoculars |
Release | Version | Architectures |
bullseye | 0.0.6-1 | all |
trixie | 0.0.19-1 | all |
bookworm-backports | 0.0.19-1~bpo12+1 | all |
bookworm | 0.0.13-1 | all |
sid | 0.0.19-1 | all |
buster | 0.0.4-1 | all |
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License: DFSG free
|
BINoculars is a tool for data reduction and analysis of large sets of
surface diffraction data that have been acquired with a
two-dimensional X-ray detector. The intensity of each pixel of a
two-dimensional detector is projected onto a three-dimensional grid
in reciprocal-lattice coordinates using a binning algorithm. This
allows for fast acquisition and processing of high-resolution data
sets and results in a significant reduction of the size of the data
set. The subsequent analysis then proceeds in reciprocal space. It
has evolved from the specific needs of the ID03 beamline at the ESRF,
but it has a modular design and can be easily adjusted and extended
to work with data from other beamlines or from other measurement
techniques.
This is the Python 3 version of the package.
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python3-cctbx
Python Toolbox for crystallography
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Versions of package python3-cctbx |
Release | Version | Architectures |
sid | 2024.10+ds2+~3.22.1+ds1-4 | amd64,arm64,ppc64el,riscv64,s390x |
bookworm | 2022.9+ds2+~3.11.2+ds1-6 | amd64,arm64,ppc64el,s390x |
trixie | 2024.10+ds2+~3.22.1+ds1-4 | amd64,arm64,ppc64el,riscv64,s390x |
upstream | 2024.11+~3.22.1 |
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License: DFSG free
|
Computational Crystallography Toolbox contains following modules:
- annlib_adaptbx:
- boost_adaptbx: wrappers for Boost functionality in CCTBX
- cbflib_adaptbx:
- ccp4io_adaptbx:
- cctbx: Libraries for general crystallographic applications,
useful for both small-molecule and macro-molecular
crystallography.
- cma_es:
- crys3d: Modules for the display of molecules, electron density,
and reciprocal space data.
- dxtbx: The Diffraction Image Toolbox, a library for handling
X-ray detector data of arbitrary complexity from a variety
of standard formats.
- fable: Fortran EMulation library for porting Fortran77 to C++.
- gltbx: Python bindings for OpenGL
- iotbx: Working with common crystallographic file formats.
- libtbx: The build system common to all other modules. This includes
a very thin wrapper around the SCons software construction tool.
It also contains many useful frameworks and utilities to simplify
application development, including tools for regression testing,
parallelization across multiprocessor systems and managed clusters,
and a flexible, modular configuration syntax called PHIL
(Python Hierarchial Interface Language) used throughout the CCTBX.
- mmtbx: Functionality specific to macromolecular crystallography.
This includes all of the machinery required for setup of
geometry restraints, bulk solvent correction and scaling,
analysis of macromolecular diffraction data, calculation of
weighted map coefficients, and most of the methods implemented
in phenix.refine. The majority of infrastructure for the MolProbity
validation server (and Phenix equivalent) is also located here.
- omptbx: OpenMP interface.
- rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
diffraction, given the reciprocal space vectors.
- scitbx: General scientific calculations. his includes a family of
high-level C++ array types, a fast Fourier transform library,
and a C++ port of the popular L-BFGS quasi-Newton minimizer.
- smtbx: Small-Molecule crystallography.
- spotfinder:
- tbxx:
- wxtbx: wxPython controls used in the Phenix GUI and various
utilities
This package provide a selected collection of python modules from the cctbx project.
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python3-cif2cell
prepare CIF files for electronic structure calculations
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Versions of package python3-cif2cell |
Release | Version | Architectures |
trixie | 2.1.0+dfsg-1 | all |
sid | 2.1.0+dfsg-1 | all |
bookworm | 2.0.0a5+dfsg-1 | all |
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License: DFSG free
|
cif2cell is a tool to generate the geometrical setup for various electronic
structure codes from a CIF (Crystallographic Information Framework) file. The
code will generate the crystal structure for the primitive cell or the
conventional cell.
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python3-fabio
I/O library for images produced by 2D X-ray detector - Python3
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Versions of package python3-fabio |
Release | Version | Architectures |
sid | 2024.4.0-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64 |
trixie | 2024.4.0-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64 |
bookworm | 0.14.0+dfsg-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster-backports | 0.10.0+dfsg-1~bpo10+1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.11.0+dfsg-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm-backports | 2023.6.0-3~bpo12+1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el |
stretch | 0.4.0+dfsg-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
stretch-backports | 0.7.0+dfsg-2~bpo9+1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 0.8.0+dfsg-1 | amd64,arm64,armhf,i386 |
upstream | 2024.9.0 |
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License: DFSG free
|
FabIO is an I/O library for images produced by 2D X-ray detectors and
written in Python. FabIO support images detectors from a dozen of
companies (including Mar, Dectris, ADSC, Hamamatsu, Oxford, ...), for
a total of 20 different file formats (like CBF, EDF, TIFF, ...) and
offers an unified interface to their headers (as a Python dictionary)
and datasets (as a numpy ndarray of integers or floats)
This is the Python 3 version of the package.
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python3-gpyfft
Wrapper for the OpenCL FFT library clFFT (Python 3)
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Versions of package python3-gpyfft |
Release | Version | Architectures |
stretch-backports | 0.7.0-1~bpo9+1 | amd64,arm64,armhf,i386 |
bullseye | 0.7.0-2 | amd64,arm64,armel,armhf,i386 |
buster | 0.7.0-1 | amd64,arm64,armhf,i386 |
bookworm | 0.7.1-2 | amd64,arm64,armel,armhf,i386 |
sid | 0.7.1-2 | amd64,arm64,armel,armhf,i386 |
trixie | 0.7.1-2 | amd64,arm64,armel,armhf,i386 |
upstream | 0.8.0 |
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License: DFSG free
|
This python wrapper is designed to tightly integrate with
PyOpenCL. It consists of a low-level Cython based wrapper with an
interface similar to the underlying C library. On top of that it
offers a high-level interface designed to work on data contained in
instances of pyopencl.array.Array, a numpy work-alike array class for
GPU computations. The high-level interface takes some inspiration
from pyFFTW. For details of the high-level interface see fft.py.
This package installs the library for Python 3.
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python3-nxs
NeXus scientific data file format - Python 3 binding
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Versions of package python3-nxs |
Release | Version | Architectures |
bookworm | 4.4.1-4 | all |
trixie | 4.4.1-6 | all |
sid | 4.4.1-6 | all |
bullseye | 4.4.1-3 | all |
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License: DFSG free
|
NeXus is a common data format for neutron, X-ray, and muon science. It
is being developed as an international standard by scientists and
programmers representing major scientific facilities in Europe, Asia,
Australia, and North America in order to facilitate greater cooperation
in the analysis and visualization of neutron, X-ray, and muon data.
This is the package containing the Python 3 bindings.
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python3-periodictable
Extensible periodic table of the elements (Python 3)
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Versions of package python3-periodictable |
Release | Version | Architectures |
sid | 2.0.1-1 | all |
buster | 1.5.0-7 | all |
trixie | 2.0.1-1 | all |
bookworm | 1.6.0-1 | all |
bullseye | 1.5.3-1 | all |
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License: DFSG free
|
This package provides a periodic table of the elements with support
for mass, density and xray/neutron scattering information.
Masses, densities and natural abundances come from the NIST Physics
Laboratory, but do not represent a critical evaluation by NIST
scientists.
Neutron scattering calculations use values collected by the Atomic
Institute of the Austrian Universities. These values do corresponding
to those from other packages, though there are some differences
depending to the tables used. Bound coherent neutron scattering for
gold in particular is significantly different from older value:
7.63(6) as measured in 1974 compared to 7.90(7) as measured in 1990.
X-ray scattering calculations use a combination of empirical and
theoretical values from the LBL Center for X-ray Optics. These values
differ from those given in other sources such as the International
Tables for Crystallography, Volume C, and so may give different
results from other packages.
This package installs the library for Python 3.
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python3-pycodcif
error-correcting CIF parser - Python3 bindings
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Versions of package python3-pycodcif |
Release | Version | Architectures |
bookworm | 3.7.0+dfsg-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 3.10.0+dfsg-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 3.10.0+dfsg-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 3.1.0+dfsg-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 2.3+dfsg-3 | amd64,arm64,armhf,i386 |
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License: DFSG free
|
Python bindings for Crystallographic Information Format (CIF) v1.1
and v2.0 parser, which is written in C language, and developed by the
Crystallography Open Database. A CIF format file is represented by a
list of data blocks, where each data block is represented by a
dictionary.
This package installs the library for Python 3.
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python3-pyfftw
Pythonic wrapper around FFTW - Python 3
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Versions of package python3-pyfftw |
Release | Version | Architectures |
jessie | 0.9.2+dfsg-2 | amd64,i386 |
bookworm | 0.13.0-2 | amd64,arm64,i386,mips64el,ppc64el,s390x |
buster | 0.11.1-2 | amd64,arm64,i386 |
sid | 0.13.1-2 | amd64,arm64,i386,mips64el,ppc64el,s390x |
bullseye | 0.12.0-1 | amd64,arm64,i386,mips64el,ppc64el,s390x |
upstream | 0.15.0 |
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License: DFSG free
|
Pythonic wrapper around FFTW, the speedy FFT library. The ultimate
aim is to present a unified interface for all the possible transforms
that FFTW can perform.
Both the complex DFT and the real DFT are supported, as well as
arbitrary axes of abitrary shaped and strided arrays, which makes it
almost feature equivalent to standard and real FFT functions of
numpy.fft (indeed, it supports the clongdouble dtype which numpy.fft
does not).
pyFFTW is BSD-licensed and should not be confused with python-fftw, a
GPL-licensed python module with the same aim of providing python
bindings to FFTW3. Or python3-gpyfft, which provides bindings to the
OpenCL FFT library clFFT.
This package provides the Python 3 bindings.
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python3-qutip
python package for simulating the dynamics of open quantum systems
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Versions of package python3-qutip |
Release | Version | Architectures |
bookworm | 4.7.1-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 5.0.3-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 4.5.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 5.0.3-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
upstream | 5.0.4 |
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License: DFSG free
|
QuTiP is open-source software for simulating the dynamics of open
quantum systems. The QuTiP library depends on the excellent Numpy,
Scipy, and Cython numerical packages. In addition, graphical output
is provided by Matplotlib. QuTiP aims to provide user-friendly and
efficient numerical simulations of a wide variety of Hamiltonians,
including those with arbitrary time-dependence, commonly found in a
wide range of physics applications such as quantum optics, trapped
ions, superconducting circuits, and quantum nanomechanical
resonators.
This package installs the library for Python 3.
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python3-sasdata
Data file handling for small-angle scattering (Python 3)
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Versions of package python3-sasdata |
Release | Version | Architectures |
experimental | 0.9.0-1 | all |
trixie | 0.8.1-5 | all |
bookworm | 0.8.1-3 | all |
sid | 0.8.1-5 | all |
upstream | 0.9.0 |
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License: DFSG free
|
The sasdata Python module provides utilities for importing and operating
on reduced small angle scattering data. The module may be used in standalone
code to build custom fitters, in conjunction with the sasmodels modules to
analyse data from custom scripts, or as part of the sasview analysis package.
This package contains the Python 3 module.
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python3-sasmodels
Theoretical models for small angle scattering (Python 3)
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Versions of package python3-sasmodels |
Release | Version | Architectures |
bookworm | 1.0.6-2 | all |
buster | 0.99-2 | all |
sid | 1.0.7-1 | all |
experimental | 1.0.8-1 | all |
trixie | 1.0.7-1 | all |
bullseye | 1.0.4-3 | all |
upstream | 1.0.8 |
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License: DFSG free
|
sasmodels is a Python module for calculating theoretical Small Angle
Scattering patterns. The models provided are usable directly in the bumps
fitting package and in the sasview analysis package.
This package contains the Python 3 version of the module.
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r-cran-rnetcdf
GNU R package that provides an R interface to NetCDF datasets
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Versions of package r-cran-rnetcdf |
Release | Version | Architectures |
stretch | 1.8-2-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 2.4-2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 2.6-2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 1.6.3-1-1 | amd64,armel,armhf,i386 |
sid | 2.9-1-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 2.9-1-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster | 1.9-1-2 | amd64,arm64,armhf,i386 |
upstream | 2.9-2 |
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License: DFSG free
|
This package provides an R interface to Unidata's NetCDF library
functions. NetCDF (network Common Data Form) is a set of interfaces
for array-oriented data access. In addition to the interface to the
NetCDF library functions, R interfaces are provided to access
Unidata's UDUNITS calendar conversions.
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root-system
??? missing short description for package root-system :-(
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Versions of package root-system |
Release | Version | Architectures |
jessie | 5.34.19+dfsg-1.2 | all |
Debtags of package root-system: |
field | physics |
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License: DFSG free
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scalapack-doc
Skalierbares Linear Algebra Paket, Dokumentation
|
Versions of package scalapack-doc |
Release | Version | Architectures |
stretch | 1.5-11 | all |
bullseye | 1.5-11 | all |
buster | 1.5-11 | all |
jessie | 1.5-10 | all |
Debtags of package scalapack-doc: |
admin | cluster |
field | mathematics |
made-of | html, man, postscript |
role | documentation |
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License: DFSG free
|
ScaLAPACK ist die parallele Version von LAPACK. Es benötigt PVM oder MPI.
Das Paket liefert die Man-Pages zu den Routinen in der ScaLAPACK-Bibliothek
(siehe Paket scalapack1-pvm oder scalapack1-mpich oder scalapack1-lam)
und eine Schnellreferenz für PBLAS und ScaLAPACK. PBLAS ist die Bibliothek
für »Parallel Basic Linear Algebra«-Unterprogramme, enthalten in ScaLAPACK.
Auch enthalten: ScaLAPACK Users' Guide (SLUG) und die FAQ zu ScaLAPACK.
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science-mathematics-dev
Debian Science - Entwicklungshilfen für Mathematik-Programme
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Versions of package science-mathematics-dev |
Release | Version | Architectures |
stretch | 1.7 | all |
bullseye | 1.14.2 | all |
bookworm | 1.14.5 | all |
trixie | 1.14.7 | all |
sid | 1.14.7 | all |
jessie | 1.4 | all |
buster | 1.10 | all |
Debtags of package science-mathematics-dev: |
field | mathematics |
role | metapackage |
suite | debian |
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License: DFSG free
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Dieses Metapaket installiert Debian-Science-Pakete, die für die Entwicklung
von Mathematik-Programmen hilfreich sein können.
Vielleicht interessiert Sie auch das Metapaket science-mathematics.
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ufo-filters
Set of plugins for ufo-core - runtime
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Versions of package ufo-filters |
Release | Version | Architectures |
stretch | 0.13.0+dfsg1-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
sid | 0.16.0.159.g483ce16-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 0.16.0.159.g483ce16-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 0.16.0.159.g483ce16-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.16.0.159.g483ce16-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 0.14.1+dfsg1-2 | amd64,arm64,armhf,i386 |
upstream | 0.16.0.172.g6f43afc |
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License: DFSG free
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The UFO data processing framework is a C library suited to build
general purpose streams data processing on heterogeneous
architectures such as CPUs, GPUs or clusters. It is extensively used
at the Karlsruhe Institute of Technology for Ultra-fast X-ray Imaging
(radiography, tomography and laminography).
This package contains average', backproject', bin', blur', buffer', calculate', camera', clip', contrast', crop', denoise', duplicate',
fftmult', fft', filter', flatten', flip', forwardproject', gemm', ifft', interpolate', loop', measure', merge', metaballs', monitor',
null', opencl', ordfilt', pad', read', reduce', refeed', replicate',
rescale', ringwriter', sleep', slice', stack', stdin', stdout', subtract', transpose', write' and `zeropad' plugins
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vecgeom-dev
geometry library for particle-detector simulation - development files
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Versions of package vecgeom-dev |
Release | Version | Architectures |
trixie | 1.2.8+dfsg-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 1.2.1+dfsg-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.2.8+dfsg-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
upstream | 1.2.10 |
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License: DFSG free
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VecGeom is a vectorized geometry modeller library with hit-detection features
as needed by particle detector simulation at the LHC and beyond.
This package includes the development files for VecGeom.
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Official Debian packages with lower relevance
libfeel++-dev
??? missing short description for package libfeel++-dev :-(
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Versions of package libfeel++-dev |
Release | Version | Architectures |
jessie | 0.99.0-final.1-1 | amd64,i386 |
Debtags of package libfeel++-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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libfftw3-doc
Dokumentation für fftw, Version 3
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Versions of package libfftw3-doc |
Release | Version | Architectures |
jessie | 3.3.4-2 | all |
sid | 3.3.10-2 | all |
trixie | 3.3.10-2 | all |
bookworm | 3.3.10-1 | all |
bullseye | 3.3.8-2 | all |
buster | 3.3.8-2 | all |
stretch | 3.3.5-3 | all |
Debtags of package libfftw3-doc: |
devel | doc |
field | mathematics |
made-of | html, info |
role | documentation |
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License: DFSG free
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Die Bibliothek FFTW berechnet ein- oder mehrdimensionale Schnelle
Fourier-Transformationen (FFT). Sie ist extrem schnell. Dieses Paket
enthält die Dokumentation der fftw3-Bibliothek.
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oce-draw
??? missing short description for package oce-draw :-(
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Versions of package oce-draw |
Release | Version | Architectures |
jessie | 0.15-5 | amd64,armel,armhf,i386 |
stretch | 0.17.2-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 0.18.2-3 | amd64,arm64,armhf,i386 |
bullseye | 0.18.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 0.18.3-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
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License: DFSG free
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python3-h5py
general-purpose Python interface to hdf5
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Versions of package python3-h5py |
Release | Version | Architectures |
stretch | 2.7.0-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
trixie | 3.12.1-1 | all |
buster | 2.8.0-3 | amd64,arm64,armhf,i386 |
bullseye | 2.10.0-9 | all |
jessie | 2.2.1-1.1 | amd64,armel,armhf,i386 |
sid | 3.12.1-1 | all |
bookworm | 3.7.0-8 | all |
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License: DFSG free
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HDF5 for Python (h5py) is a general-purpose Python interface to the
Hierarchical Data Format library, version 5. HDF5 is a versatile, mature
scientific software library designed for the fast, flexible storage of
enormous amounts of data.
From a Python programmer's perspective, HDF5 provides a robust way to
store data, organized by name in a tree-like fashion. You can create
datasets (arrays on disk) hundreds of gigabytes in size, and perform
random-access I/O on desired sections. Datasets are organized in a
filesystem-like hierarchy using containers called "groups", and accessed
using the tradional POSIX /path/to/resource syntax.
H5py provides a simple, robust read/write interface to HDF5 data from
Python. Existing Python and Numpy concepts are used for the interface;
for example, datasets on disk are represented by a proxy class that
supports slicing, and has dtype and shape attributes. HDF5 groups are
presented using a dictionary metaphor, indexed by name.
This is a simple dependency package which depends on the serial or
MPI build of h5py and provides test data files.
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python3-netcdf4
Python 3 interface to the netCDF4 (network Common Data Form) library
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Versions of package python3-netcdf4 |
Release | Version | Architectures |
stretch | 1.2.7-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 1.4.2-1 | amd64,arm64,armhf,i386 |
bullseye | 1.5.5.1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.6.2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 1.7.2-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 1.7.2-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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NetCDF version 4 has many features not found in earlier versions of the
library and is implemented on top of HDF5. This module can read and write
files in both the new netCDF 4 and the old netCDF 3 format, and can create
files that are readable by HDF5 clients. The API is modelled after
Scientific.IO.NetCDF, and should be familiar to users of that module.
Most new features of netCDF 4 are implemented, such as multiple unlimited
dimensions, groups and zlib data compression. All the new numeric data types
(such as 64 bit and unsigned integer types) are implemented. Compound and
variable length (vlen) data types are supported, but the enum and opaque data
types are not. Mixtures of compound and vlen data types (compound types
containing vlens, and vlens containing compound types) are not supported.
This package contains the netCDF 4 module for Python 3.
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python3-threadpoolctl
Python helpers for common threading libraries (BLAS, OpenMP)
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Versions of package python3-threadpoolctl |
Release | Version | Architectures |
bookworm | 3.1.0-1 | all |
bullseye | 2.1.0-1 | all |
buster-backports | 2.1.0-1~bpo10+1 | all |
trixie | 3.1.0-1 | all |
sid | 3.1.0-1 | all |
upstream | 3.5.0 |
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License: DFSG free
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Thread-pool Controls provides Python helpers to limit the number of threads
used in the threadpool-backed of common native libraries used for scientific
computing and data science (e.g. BLAS and OpenMP).
Fine control of the underlying thread-pool size can be useful in workloads
that involve nested parallelism so as to mitigate oversubscription issues.
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Debian packages in contrib or non-free
gsl-doc-info
GNU Scientific Library (GSL) Reference Manual in info
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Versions of package gsl-doc-info |
Release | Version | Architectures |
bullseye | 2.6-1 (non-free) | all |
bookworm | 2.7.1-1 (non-free) | all |
trixie | 2.7.1-1 (non-free) | all |
jessie | 1.16-1 (non-free) | all |
stretch | 1.16-1 (non-free) | all |
sid | 2.7.1-1 (non-free) | all |
buster | 2.3-1 (non-free) | all |
upstream | 2.8 |
Debtags of package gsl-doc-info: |
devel | doc, lang:c |
field | mathematics |
made-of | info |
role | documentation |
suite | gnu |
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License: non-free
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This package provides info files with the reference manual for the
GNU Scientific Library (GSL), a collection of routines for numerical
analysis.
The reference manual is also available in postscript and html formats
in the packages gsl-ref-psdoc and gsl-ref-html, respectively.
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gsl-doc-pdf
GNU Scientific Library (GSL) Reference Manual in pdf
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Versions of package gsl-doc-pdf |
Release | Version | Architectures |
jessie | 1.16-1 (non-free) | all |
sid | 2.7.1-1 (non-free) | all |
stretch | 1.16-1 (non-free) | all |
bullseye | 2.6-1 (non-free) | all |
buster | 2.3-1 (non-free) | all |
bookworm | 2.7.1-1 (non-free) | all |
trixie | 2.7.1-1 (non-free) | all |
upstream | 2.8 |
Debtags of package gsl-doc-pdf: |
devel | doc, lang:c |
field | mathematics |
made-of | pdf |
role | documentation |
suite | gnu |
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License: non-free
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This package provides a pdf file with the reference manual for the
GNU Scientific Library (GSL), a collection of routines for numerical
analysis.
The reference manual is also available in postscript and html formats
in the packages gsl-ref-psdoc and gsl-ref-html, respectively.
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gsl-ref-html
GNU Scientific Library (GSL) Reference Manual in html
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Versions of package gsl-ref-html |
Release | Version | Architectures |
bookworm | 2.3-1 (non-free) | all |
stretch | 1.16-1 (non-free) | all |
sid | 2.3-1 (non-free) | all |
trixie | 2.3-1 (non-free) | all |
bullseye | 2.3-1 (non-free) | all |
buster | 2.3-1 (non-free) | all |
jessie | 1.16-1 (non-free) | all |
Debtags of package gsl-ref-html: |
devel | doc, lang:c |
field | mathematics |
made-of | html |
role | documentation |
suite | gnu |
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License: non-free
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This package provides html files with the reference manual for the
GNU Scientific Library (GSL), a collection of routines for numerical
analysis.
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gsl-ref-psdoc
GNU Scientific Library (GSL) Reference Manual in postscript
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Versions of package gsl-ref-psdoc |
Release | Version | Architectures |
bookworm | 2.3-1 (non-free) | all |
trixie | 2.3-1 (non-free) | all |
buster | 2.3-1 (non-free) | all |
sid | 2.3-1 (non-free) | all |
jessie | 1.16-1 (non-free) | all |
stretch | 1.16-1 (non-free) | all |
bullseye | 2.3-1 (non-free) | all |
Debtags of package gsl-ref-psdoc: |
devel | doc, lang:c |
field | mathematics |
made-of | postscript |
role | documentation |
suite | gnu |
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License: non-free
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This package provides a ps file with the reference manual for the
GNU Scientific Library (GSL), a collection of routines for numerical
analysis.
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Packaging has started and developers might try the packaging code in VCS
libcblas-dev
Basic Linear Algebra Subroutines 3, static library
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Versions of package libcblas-dev |
Release | Version | Architectures |
VCS | 3.2.1+dfsg-1 | all |
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License: BSD-3-clause
Debian package not available
Version: 3.2.1+dfsg-1
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This package is a binary incompatible upgrade to the blas-dev
package. Several minor changes to the C interface have been
incorporated.
BLAS (Basic Linear Algebra Subroutines) is a set of efficient
routines for most of the basic vector and matrix operations.
They are widely used as the basis for other high quality linear
algebra software, for example lapack and linpack. This
implementation is the Fortran 77 reference implementation found
at netlib.
This implementation of the library belongs to the CLAPACK distribution.
This package contains a static version of the library.
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No known packages available
libpspio-dev
Library to read and write pseudopotentials
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License: LGPL
Debian package not available
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Pseudopotentials consist in atomic data used for atomic-scale electronic
structure calculations. Libpspio is a library to read and write
pseudopotentials in various formats, allowing as well for conversion in
some cases.
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wannier90-1-dev
Maximally Localized Wannier Functions - Development files
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License: GPL
Debian package not available
Language: Fortran 90
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Wannier90 is an electronic-structure software computing
maximally-localized Wannier functions (MLWF). It works on top of other
electronic-structure software, such as Abinit, FLEUR, and PwSCF.
This package contains the development files needed to interface other
software with Wannier90.
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