Paket: gromacs (2024.2-1 och andra)

Länkar för gromacs

Debianresurser:

Hämta källkodspaketet gromacs:

Ansvariga:

Debichem Team (QA-sida, E-postarkiv)
Nicholas Breen (QA-sida)

Externa resurser:

Hemsida [www.gromacs.org]

Liknande paket:

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.

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

Andra paket besläktade med gromacs

beror

rekommenderar

föreslår

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 (= 2024.1-1) [sparc64]

dep: gromacs-data (= 2024.2-1) [amd64, arm64, mips64el, ppc64, ppc64el, riscv64, s390x]
dep: libc6 (>= 2.16) [x32]

GNU C-bibliotek: Delade bibliotek
också ett virtuellt paket som tillhandahålls av libc6-udeb

dep: libc6 (>= 2.32) [sh4]

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

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

GNU C-bibliotek: Delade bibliotek
också ett virtuellt paket som tillhandahålls av libc6.1-udeb

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

GCC stödbibliotek

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

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

GCC stödbibliotek
dep: libgomp1 (>= 4.2.1) [sparc64]

GCC OpenMP (GOMP) support library
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 (>= 2024.1) [sparc64]

GROMACS molecular dynamics sim, shared libraries

dep: libgromacs9 (>= 2024.2) [amd64, arm64, mips64el, ppc64, ppc64el, riscv64, s390x]
dep: libopenmpi3 (>= 4.1.5) [ia64]

high performance message passing library -- shared library
dep: libopenmpi3t64 (>= 4.1.6) [ej alpha, hppa, ia64, m68k, sh4, x32]

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

GNU standardbibliotek v3 för C++

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 [ej alpha, hppa, m68k, sh4, x32]

Standard MPI runtime programs (metapackage)

sug: pymol

Molecular Graphics System

Hämta gromacs

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
alpha (inofficiell anpassning)	2020.5-4	146,5 kbyte	561,0 kbyte	[filförteckning]
amd64	2024.2-1	59,0 kbyte	448,0 kbyte	[filförteckning]
arm64	2024.2-1	60,4 kbyte	592,0 kbyte	[filförteckning]
hppa (inofficiell anpassning)	2021.4-2	148,0 kbyte	512,0 kbyte	[filförteckning]
ia64 (inofficiell anpassning)	2023.1-2	65,7 kbyte	552,0 kbyte	[filförteckning]
m68k (inofficiell anpassning)	2021.4-2	134,9 kbyte	554,0 kbyte	[filförteckning]
mips64el	2024.2-1	59,5 kbyte	608,0 kbyte	[filförteckning]
ppc64 (inofficiell anpassning)	2024.2-1	62,2 kbyte	592,0 kbyte	[filförteckning]
ppc64el	2024.2-1	61,4 kbyte	592,0 kbyte	[filförteckning]
riscv64	2024.2-1	64,9 kbyte	416,0 kbyte	[filförteckning]
s390x	2024.2-1	57,2 kbyte	416,0 kbyte	[filförteckning]
sh4 (inofficiell anpassning)	2021.4-2	158,4 kbyte	484,0 kbyte	[filförteckning]
sparc64 (inofficiell anpassning)	2024.1-1+b1	59,0 kbyte	4.189,0 kbyte	[filförteckning]
x32 (inofficiell anpassning)	2021.4-2	140,4 kbyte	514,0 kbyte	[filförteckning]