Re: Computational chemistry softwares orphaned in F20

2014-05-20 Thread Henrique Junior
2014-05-20 6:35 GMT-03:00 Susi Lehtola : > On Mon, 19 May 2014 10:00:52 -0300 > Henrique Junior wrote: > > 2014-05-19 4:20 GMT-03:00 Susi Lehtola : > > > mopac7 is orphan in F20 and rawhide, and probably will be retired(?) > > > > > MOPAC7 is still a very important software, it would be a shame t

Re: Computational chemistry softwares orphaned in F20

2014-05-20 Thread Susi Lehtola
On Mon, 19 May 2014 10:00:52 -0300 Henrique Junior wrote: > 2014-05-19 4:20 GMT-03:00 Susi Lehtola : > > mopac7 is orphan in F20 and rawhide, and probably will be retired(?) > > > MOPAC7 is still a very important software, it would be a shame to lose it > in our repos. > Does anyone know something

Re: Computational chemistry softwares orphaned in F20

2014-05-19 Thread Antonio Trande
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 > Computational chemistry is by no means dead. There are big packages > available for real calculations, e.g. NWChem and PSI4 are available > in Fedora. I wish point out 'Ascend', in review now (https://bugzilla.redhat.com/show_bug.cgi?id=908088) and

Re: Computational chemistry softwares orphaned in F20

2014-05-19 Thread Henrique Junior
2014-05-19 4:20 GMT-03:00 Susi Lehtola : > On Sun, 18 May 2014 21:23:51 -0500 > Jon wrote: > > Indeed, something strange: > > > > $ spectool -g mopac7.spec > > curl: (22) The requested URL returned error: 404 Not Found > > > > The maintainer of the mopac7 package should fix the source0, or retire

Re: Computational chemistry softwares orphaned in F20

2014-05-19 Thread Susi Lehtola
On Sun, 18 May 2014 21:23:51 -0500 Jon wrote: > Indeed, something strange: > > $ spectool -g mopac7.spec > curl: (22) The requested URL returned error: 404 Not Found > > The maintainer of the mopac7 package should fix the source0, or retire > the package. mopac7 is orphan in F20 and rawhide, an

Re: Computational chemistry softwares orphaned in F20

2014-05-18 Thread Jon
On Fri, May 16, 2014 at 3:35 PM, Przemek Klosowski wrote: > On 05/16/2014 12:02 PM, Susi Lehtola wrote: > > On Fri, 16 May 2014 08:26:23 -0300 > Henrique Junior wrote: > > MOPAC7 is still in good shape despite the age. > > Also, I'm active in the field of computational chemistry myself. > > So i

Re: Computational chemistry softwares orphaned in F20

2014-05-16 Thread Przemek Klosowski
On 05/16/2014 12:02 PM, Susi Lehtola wrote: On Fri, 16 May 2014 08:26:23 -0300 Henrique Junior wrote: MOPAC7 is still in good shape despite the age. Also, I'm active in the field of computational chemistry myself. So is MOPAC7 viable for Fedora? it's been dormant since 2006; is there a bett

Re: Computational chemistry softwares orphaned in F20

2014-05-16 Thread Susi Lehtola
On Fri, 16 May 2014 08:26:23 -0300 Henrique Junior wrote: > 2014-05-16 6:23 GMT-03:00 Susi Lehtola : > > Computational chemistry is by no means dead. There are big packages > > available for real calculations, e.g. NWChem and PSI4 are available in > > Fedora. > > I have to disagree with you. Comp

Re: Computational chemistry softwares orphaned in F20

2014-05-16 Thread Richard Hughes
On 16 May 2014 00:53, Henrique Junior wrote: > Too bad I don't have the time to be a packager anymore... If anyone does pick this up, ghemical needs an AppData file: https://github.com/hughsie/createrepo_as_logs/blob/master/ghemical/ghemical-2.99.2-24.fc20.log Richard -- devel mailing list deve

Re: Computational chemistry softwares orphaned in F20

2014-05-16 Thread Henrique Junior
2014-05-16 6:23 GMT-03:00 Susi Lehtola : > On Thu, 15 May 2014 13:06:59 -0300 > Henrique Junior 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

Re: Computational chemistry softwares orphaned in F20

2014-05-16 Thread Susi Lehtola
On Thu, 15 May 2014 13:06:59 -0300 Henrique Junior 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.

Re: Computational chemistry softwares orphaned in F20

2014-05-15 Thread Henrique Junior
That is true. The last ghemical release is from 2011 (v 3.0.0). We have 2.9.9 in Fedora. To have this updated version I've created a COPR build here[1] (builds OK on my machine). Too bad I don't have the time to be a packager anymore... [1] - http://copr.fedoraproject.org/coprs/lspooky/ghemical/

Re: Computational chemistry softwares orphaned in F20

2014-05-15 Thread Mukundan Ragavan
-BEGIN PGP SIGNED MESSAGE- Hash: SHA512 On 05/15/2014 11:06 AM, Henrique Junior 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 > c

Computational chemistry softwares orphaned in F20

2014-05-15 Thread Henrique Junior
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. -- *Henrique C. S. Junior* Q