Package: libgromacs9 (2024.4-1 and others)

[ Source: gromacs  ]

GROMACS molecular dynamics sim, shared libraries

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 the shared library, libgromacs.

Other Packages Related to libgromacs9

• dep: libblas3

  Basic Linear Algebra Reference implementations, shared library

  or libblas.so.3

  virtual package provided by libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• dep: libc6 (>= 2.38)

  GNU C Library: Shared libraries
  also a virtual package provided by libc6-udeb

• dep: libfftw3-double3 (>= 3.3.10)

  Library for computing Fast Fourier Transforms - Double precision

• dep: libfftw3-single3 (>= 3.3.10)

  Library for computing Fast Fourier Transforms - Single precision

• dep: libgcc-s1 (>= 3.0) [amd64, arm64, mips64el, s390x]

  GCC support library

  dep: libgcc-s1 (>= 3.4) [sparc64]

  dep: libgcc-s1 (>= 3.4.4) [ppc64, ppc64el]

  dep: libgcc-s1 (>= 4.3) [riscv64]

• dep: libgomp1 (>= 6)

  GCC OpenMP (GOMP) support library

• dep: libhwloc15 (>= 2.11.2)

  Hierarchical view of the machine - shared libs

• dep: liblapack3

  Library of linear algebra routines 3 - shared version

  or liblapack.so.3

  virtual package provided by libatlas3-base, liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• dep: libmuparser2v5 (>= 2.3.4)

  fast mathematical expressions parser library (runtime)

• dep: libopenmpi40 (>= 5.0.6)

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 14)

  GNU Standard C++ Library v3

• dep: zlib1g (>= 1:1.2.0)

  compression library - runtime

Download libgromacs9

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
amd64	2024.4-1+b1	31,230.6 kB	92,488.0 kB	[list of files]
arm64	2024.4-1+b1	28,419.4 kB	76,880.0 kB	[list of files]
mips64el	2024.4-1+b1	24,946.9 kB	78,396.0 kB	[list of files]
ppc64 (unofficial port)	2024.4-1+b1	27,842.6 kB	86,224.0 kB	[list of files]
ppc64el	2024.4-1+b1	29,430.8 kB	84,176.0 kB	[list of files]
riscv64	2024.4-1+b1	27,505.0 kB	63,306.0 kB	[list of files]
s390x	2024.4-1+b1	23,803.0 kB	78,866.0 kB	[list of files]
sparc64 (unofficial port)	2024.4-1+b1	23,727.1 kB	74,896.0 kB	[list of files]