Package: votca (2025-1)

[ Source: votca  ]

Experimental package

Warning: This package is from the experimental distribution. That means it is likely unstable or buggy, and it may even cause data loss. Please be sure to consult the changelog and other possible documentation before using it.

Molecular dynamics analysis - coarse-graining and charge transport

Versatile Object-Oriented Toolkit for Coarse-Graining Applications (VOTCA) is a modeling package for the analysis of molecular dynamics data, the development of systematic coarse-graining techniques, and methods used for simulating microscopic charge transport in disordered semiconductors.

Numerous molecular dynamics packages, including but not limited to GROMACS, ESPREesSo, and LAMPPS, can be used together with VOTCA.

This package contains user programs for the coarse-graining toolkit (CSG) and excitation transport toolkit (XTP).

Other Packages Related to votca

• dep: libboost-program-options1.83.0 (>= 1.83.0)

  program options library for C++

• dep: libc6 (>= 2.38) [not loong64]

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

  dep: libc6 (>= 2.41) [loong64]

• dep: libgcc-s1 (>= 3.0) [not riscv64]

  GCC support library

  dep: libgcc-s1 (>= 3.4) [riscv64]

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libhdf5-310 (>= 1.14.3)

  HDF5 C runtime files - serial version

• dep: libhdf5-cpp-310 (>= 1.14.4.3)

  HDF5 - C++ runtime files - serial version

• dep: libstdc++6 (>= 14)

  GNU Standard C++ Library v3

• dep: libvotca-2025 (>= 2025)

  VOTCA molecular dynamics analysis - shared libraries

• dep: votca-data (= 2025-1)

  VOTCA molecular dynamics analysis - basis sets and scripts

• rec: python3

  interactive high-level object-oriented language (default python3 version)

• sug: votca-tutorials

  VOTCA molecular dynamics analysis - tutorials

Download votca

Download for all available architectures

Architecture	Package Size	Installed Size	Files
amd64	635.0 kB	3,384.0 kB	[list of files]
arm64	582.9 kB	3,988.0 kB	[list of files]
loong64 (unofficial port)	579.4 kB	3,860.0 kB	[list of files]
mips64el	584.0 kB	4,355.0 kB	[list of files]
ppc64 (unofficial port)	597.5 kB	4,543.0 kB	[list of files]
ppc64el	644.1 kB	4,500.0 kB	[list of files]
riscv64	597.5 kB	2,684.0 kB	[list of files]
s390x	582.4 kB	3,203.0 kB	[list of files]