Bug 296707

Summary:	[science overlay] sci-chemistry/votca-csg - new ebuild
Product:	Gentoo Linux	Reporter:	Christoph Junghans (RETIRED) <junghans>
Component:	New packages	Assignee:	Default Assignee for New Packages <maintainer-wanted>
Status:	RESOLVED FIXED
Severity:	enhancement	CC:	sci-chemistry
Priority:	High	Keywords:	EBUILD, InVCS
Version:	unspecified
Hardware:	All
OS:	Linux
URL:	http://votca.org
Whiteboard:	[science overlay]
Package list:		Runtime testing required:	---

Description Christoph Junghans (RETIRED) gentoo-dev

2009-12-13 11:15:58 UTC

Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. Iterative methods are implemented using bash and perl scripting.

You can read more about the toolkit and the implemented methods in the recently published in:
http://dx.doi.org/10.1021/ct900369w

Comment 1 Christoph Junghans (RETIRED) gentoo-dev

2011-02-12 16:25:54 UTC

I moved 1.0.1 to main tree.