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Bug#895124: marked as done (RFP: openmolcas -- Computational chemistry electronic structure package.)

Your message dated Mon, 13 Apr 2020 11:40:27 +0300
with message-id <20200413084027.GD7668@localhost>
and subject line openmolcas is now in unstable
has caused the Debian Bug report #895124,
regarding RFP: openmolcas -- Computational chemistry electronic structure package.
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.

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-- 
895124: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=895124
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message --- 
Package: wnpp
Severity: wishlist

* Package name    : openmolcas
  Version         : 18.0
  Upstream Author : OpenMolcas developers
* URL             : https://gitlab.com/Molcas/OpenMolcas
* License         : LGPL
  Programming Lang: Fortran (with bits in C/C++ and Python)
  Description     : Computational chemistry electronic structure package.

OpenMolcas is a complete molecular electronic structure software package, with
particular emphasis on multi-configurational methods like CASSCF/CASPT2.
It is a large part of the Molcas package relicensed under LGPL.



A package for OpenMolcas could be maintained (should there be interest),
within the Debichem group or the debian-science team.
OpenMolcas performs ab initio calculations and belongs to the same software
class as some packages already in Debian
https://blends.debian.org/debichem/tasks/abinitio
It has however is own specificities, is well established and is actively
maintained.

--- End Message ---
--- Begin Message --- 
https://tracker.debian.org/pkg/openmolcas

cu
Adrian

--- End Message ---
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