[Date Prev][Date Next] [Thread Prev][Thread Next] [Date Index] [Thread Index]

Bug#1020896: marked as done (ITP: python-pymbar -- Python implementation of the multistate Bennett acceptance ratio (MBAR))

Your message dated Thu, 27 Oct 2022 09:11:55 +0300
with message-id <a1ef9889-4e49-4bf8-d230-d856cc0c6f3b@debian.org>
and subject line 1020896: accepted to unstable, closing
has caused the Debian Bug report #1020896,
regarding ITP: python-pymbar -- Python implementation of the multistate Bennett acceptance ratio (MBAR)
to be marked as done.

This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.

(NB: If you are a system administrator and have no idea what this
message is talking about, this may indicate a serious mail system
misconfiguration somewhere. Please contact owner@bugs.debian.org
immediately.)


-- 
1020896: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1020896
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message --- 
Package: wnpp
Owner: Andrius Merkys <merkys@debian.org>
Severity: wishlist

* Package name    : python-pymbar
  Version         : 3.1.0
  Upstream Author : Michael R. Shirts, John D. Chodera
* URL             : https://simtk.org/home/pymbar
* License         : Expat
  Programming Lang: Python
  Description     : Python implementation of the multistate Bennett
acceptance ratio (MBAR)

Pymbar is a library that provides tools for optimally combining
simulations from multiple thermodynamic states using maximum likelihood
methods to compute free energies (normalization constants) and
expectation values from all of the samples simultaneously.

This package is a dependency of other tools for free energy calculation,
for instance, openmmtools.

Remark: This package is to be maintained with Debian Science Maintainers
at https://salsa.debian.org/science-team/python-pymbar

--- End Message ---
--- Begin Message --- 
Version: 3.1.0-2

Closing ITP bug which was not closed automatically.

Andrius

--- End Message ---
Reply to: