2014-05-16 6:23 GMT-03:00 Susi Lehtola <jussilehtola(a)fedoraproject.org>:
On Thu, 15 May 2014 13:06:59 -0300
Henrique Junior <henriquecsj(a)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(a)fedoraproject.org
<
http://fedoraproject.org/code-of-conduct>
I have to disagree with you. Computational chemistry is not dead and I know
lots of chemists doing a great job in this area (both organic and
inorganic). MOPAC7 is still in good shape despite the age.
--
*Henrique C. S. Junior*
Química Industrial - UFRRJ
Centro de Processamento de Dados - PMP