Pakket: gromacs (2024.5-1 en anderen)

Verwijzigingen voor gromacs

Debian bronnen:

Het bronpakket gromacs downloaden:

Beheerders:

Debichem Team (QA-pagina, Mailarchief)
Nicholas Breen (QA-pagina)

Externe bronnen:

Homepage [www.gromacs.org]

Vergelijkbare pakketten:

Molecular dynamics simulator, with building and analysis tools

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.

This package contains variants both for execution on a single machine, and using the MPI interface across multiple machines.

Tags: Field: Biology, Structural Biology, field::chemistry, implemented-in::c, User Interface: Command Line, interface::graphical, interface::x11, Role: Program, Interface Toolkit: X library, X Window Systeem: Application

Andere aan gromacs gerelateerde pakketten

depends

recommends

suggests

enhances

dep: gromacs-data (= 2020.5-4) [alpha]

GROMACS molecular dynamics sim, data and documentation

dep: gromacs-data (= 2021.4-2) [hppa, m68k, sh4, x32]

dep: gromacs-data (= 2023.1-2) [ia64]

dep: gromacs-data (= 2024.5-1) [niet alpha, hppa, ia64, m68k, sh4, x32]
dep: libc6 (>= 2.16) [x32]

GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb

dep: libc6 (>= 2.32) [sh4]

dep: libc6 (>= 2.34) [niet alpha, hppa, ia64, m68k, sh4, x32]

dep: libc6 (>= 2.7) [hppa, m68k]
dep: libc6.1 (>= 2.36) [ia64]

GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6.1-udeb

dep: libc6.1 (>= 2.7) [alpha]
dep: libgcc-s1 (>= 3.0) [niet hppa, ia64, m68k, sh4]

GCC support bibliotheek

dep: libgcc-s1 (>= 3.3.4) [sh4]
dep: libgcc-s2 (>= 4.2.1) [m68k]

GCC support bibliotheek
dep: libgcc-s4 (>= 4.1.1) [hppa]

GCC support bibliotheek
dep: libgromacs5 (>= 2020.5) [alpha]

GROMACS molecular dynamics sim, shared libraries
dep: libgromacs6 (>= 2021.4) [hppa, m68k, sh4, x32]

GROMACS molecular dynamics sim, shared libraries
dep: libgromacs8 (>= 2023.1) [ia64]

GROMACS molecular dynamics sim, shared libraries
dep: libgromacs9 (>= 2024.5) [niet alpha, hppa, ia64, m68k, sh4, x32]

GROMACS molecular dynamics sim, shared libraries
dep: libopenmpi3 (>= 4.1.5) [ia64]

high performance message passing library -- shared library
dep: libopenmpi40 (>= 5.0.6) [niet alpha, hppa, ia64, m68k, sh4, x32]

high performance message passing library -- shared library
dep: libstdc++6 (>= 11) [niet alpha]

GNU Standard C++ Library v3

dep: libstdc++6 (>= 5.2) [alpha]
dep: libunwind8 [ia64]

library to determine the call-chain of a program - runtime
dep: libx11-6 [alpha, hppa, m68k, sh4, x32]

X11 client-side library
dep: sse4.2-support [amd64, x32]

CPU feature checking - require SSE4.2

rec: cpp

GNU C preprocessor (cpp)
rec: mpi-default-bin [niet alpha, hppa, m68k, sh4, x32]

Standard MPI runtime programs (metapackage)

sug: pymol

Molecular Graphics System

gromacs downloaden

Pakket downloaden voor alle beschikbare platforms
Platform	Versie	Pakketgrootte	Geïnstalleerde grootte	Bestanden
alpha (unofficial port)	2020.5-4	146,5 kB	561,0 kB	[overzicht]
amd64	2024.5-1	62,8 kB	453,0 kB	[overzicht]
arm64	2024.5-1	59,5 kB	589,0 kB	[overzicht]
hppa (unofficial port)	2021.4-2	148,0 kB	512,0 kB	[overzicht]
ia64 (unofficial port)	2023.1-2	65,7 kB	552,0 kB	[overzicht]
m68k (unofficial port)	2021.4-2	134,9 kB	554,0 kB	[overzicht]
mips64el	2024.5-1	61,4 kB	601,0 kB	[overzicht]
ppc64 (unofficial port)	2024.5-1	63,1 kB	589,0 kB	[overzicht]
ppc64el	2024.5-1	61,7 kB	589,0 kB	[overzicht]
riscv64	2024.5-1	62,2 kB	397,0 kB	[overzicht]
s390x	2024.5-1	57,5 kB	413,0 kB	[overzicht]
sh4 (unofficial port)	2021.4-2	158,4 kB	484,0 kB	[overzicht]
sparc64 (unofficial port)	2024.5-1	58,5 kB	4.181,0 kB	[overzicht]
x32 (unofficial port)	2021.4-2	140,4 kB	514,0 kB	[overzicht]