365557 – [science] sci-libs/openmm-3.0 version bump

Bug 365557 - [science] sci-libs/openmm-3.0 version bump

Summary: [science] sci-libs/openmm-3.0 version bump

Status:	RESOLVED FIXED

Alias:	None

Product:	Gentoo Linux
Classification:	Unclassified
Component:	New packages (show other bugs)
Hardware:	All All

Importance:	High enhancement
Assignee:	Christoph Junghans (RETIRED)

URL:	https://simtk.org/home/openmm
Whiteboard:
Keywords:	InVCS

Depends on:
Blocks:

Reported:	2011-05-01 13:57 UTC by Christoph Junghans (RETIRED)
Modified:	2012-12-30 22:54 UTC (History)
CC List:	2 users (show)

See Also:
Package list:
Runtime testing required:	---

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Description Christoph Junghans (RETIRED) gentoo-dev

2011-05-01 13:57:27 UTC

This bump is of interest for sci-chemistry/gromacs and sci-chemistry/tinker to get openmm as an accelerator. However I don't have a nvidia/ATI card for testing available anymore. The openmm-2.0 ebuild can serve as a starting point, I got it working with gromacs-4.5.9999 at some point.

---------
3.0
March 30, 2011

This is a major update to the OpenMM platform. New features include support for the AMOEBA force field, energy minimization, performance improvements, and much more.

Comment 1 Christoph Junghans (RETIRED) gentoo-dev

2012-12-30 22:54:57 UTC

openmm-4.1.1 is in gx86.