./math/plumed, Molecular dynamics support library

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Branch: CURRENT, Version: 2.8.0nb2, Package name: plumed-2.8.0nb2, Maintainer: thor

PLUMED is an open-source, community-developed library that provides a
wide range of different methods, which include:

enhanced-sampling algorithms free-energy methods tools to analyze the
vast amounts of data produced by molecular dynamics (MD) simulations.

These techniques can be used in combination with a large toolbox
of collective variables that describe complex processes in physics,
chemistry, material science, and biology.

Master sites:

Filesize: 105107.647 KB

Version history: (Expand)

CVS history: (Expand)


   2023-08-14 07:25:36 by Thomas Klausner | Files touched by this commit (1247) 
Log message:
*: recursive bump for Python 3.11 as new default
   2022-07-26 17:23:09 by Adam Ciarcinski | Files touched by this commit (1) 
Log message:
plumed: do not use loader path on Darwin; cleanups
   2022-07-25 18:11:51 by Dr. Thomas Orgis | Files touched by this commit (3) 
Log message:
math/plumed: fix PLIST, shared libs only for Linux and OSX per upstream
   2022-07-25 16:58:47 by Dr. Thomas Orgis | Files touched by this commit (1) 
Log message:
math/plumed: PKGREVISION incrememnt
   2022-07-25 16:57:58 by Dr. Thomas Orgis | Files touched by this commit (1) 
Log message:
math/plumed: needs CBLAS (possibly picks gslcblas otherwise)
   2022-07-08 21:47:59 by Dr. Thomas Orgis | Files touched by this commit (8) 
Log message:
math/plumed: added package for the MD algorithm library