Computational chemistry softwares orphaned in F20

Susi Lehtola jussilehtola at fedoraproject.org
Fri May 16 09:23:04 UTC 2014


On Thu, 15 May 2014 13:06:59 -0300
Henrique Junior <henriquecsj at gmail.com> wrote:

> Hi, I was taking a look at Fedora Package DB and saw that some very
> important computational chemistry softwares (ghemical, mopac, mpqcare... )
> marked as orphaned in F20, is that correct?
> As a chemist I'm very concerned about that.
> No luck contacting carllibpst to ask.

ghemical upstream is dead.
New versions of mopac are non-free; so same thing here.

mpqc hasn't had a stable release since 2006... although upstream seems
active on github.

Computational chemistry is by no means dead. There are big packages
available for real calculations, e.g. NWChem and PSI4 are available in
Fedora.
-- 
Susi Lehtola
Fedora Project Contributor
jussilehtola at fedoraproject.org


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