Re: [Avogadro-devel] Avogadro 1.1.x and Linux Distributions

2014-08-30 Thread Steven Petrovic
Thank you all so much for a wonderful molecular modeling program. I look
forward to seeing Avogadro continually improve and for a greater segment of
the scientific community to use it!
Best regards,
Steve

On Saturday, August 30, 2014, Geoffrey Hutchison geoff.hutchi...@gmail.com
wrote:

 Thanks so much for the follow-up (off-list). I have a patch now. Somehow
 the conversion from electrons * Angstrom was deleted - probably as part of
 eliminating the empirical conversion we used previously.

 http://review.source.kitware.com/#/c/16865/

 This should definitely make it into v1.1.2.

 Thanks very much,
 -Geoff



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Re: [Avogadro-devel] Avogadro 1.1.x and Linux Distributions

2014-08-29 Thread Geoffrey Hutchison
 Any progress on this?  The Debian freeze is approaching in a couple of
 months, so I it would be nice to include Avogadro-1.2.0 into the next
 version.



I think we should probably fix as many bugs as possible and push out 1.1.x as 
1.2, even though it'll be missing a few features. Is there a date for the 
freeze? When do you want something?

The relative quiet is that Marcus came to visit Pittsburgh and we've been 
assembling a hit list to get as many things ready for an Avogadro v2 release. 
The new rendering architecture is a huge improvement, but day-to-day usability 
needs a bit of work.

Thanks,
-Geoff
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Re: [Avogadro-devel] Avogadro 1.1.x and Linux Distributions

2014-08-29 Thread Michael Banck
Hi,

On Fri, Aug 29, 2014 at 04:51:49PM -0400, Geoffrey Hutchison wrote:
  Any progress on this?  The Debian freeze is approaching in a couple of
  months, so I it would be nice to include Avogadro-1.2.0 into the next
  version.

 I think we should probably fix as many bugs as possible and push out
 1.1.x as 1.2, even though it'll be missing a few features. Is there a
 date for the freeze? When do you want something?
 
The hard freeze is early November, but early October would be
appreciated to leave some time for integration etc.

 The relative quiet is that Marcus came to visit Pittsburgh and we've
 been assembling a hit list to get as many things ready for an
 Avogadro v2 release. The new rendering architecture is a huge
 improvement, but day-to-day usability needs a bit of work.

If avogadro2 is out by then, I can see about getting it packaged, but it
might be premature to replace avogadro1 with it for the Debian release.


Michael

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Re: [Avogadro-devel] Avogadro 1.1.x and Linux Distributions

2014-08-29 Thread Marcus D. Hanwell
On Fri, Aug 29, 2014 at 6:58 PM, Michael Banck mba...@debian.org wrote:
 Hi,

 On Fri, Aug 29, 2014 at 04:51:49PM -0400, Geoffrey Hutchison wrote:
  Any progress on this?  The Debian freeze is approaching in a couple of
  months, so I it would be nice to include Avogadro-1.2.0 into the next
  version.

 I think we should probably fix as many bugs as possible and push out
 1.1.x as 1.2, even though it'll be missing a few features. Is there a
 date for the freeze? When do you want something?

 The hard freeze is early November, but early October would be
 appreciated to leave some time for integration etc.

Sounds like something we could work towards.

 The relative quiet is that Marcus came to visit Pittsburgh and we've
 been assembling a hit list to get as many things ready for an
 Avogadro v2 release. The new rendering architecture is a huge
 improvement, but day-to-day usability needs a bit of work.

 If avogadro2 is out by then, I can see about getting it packaged, but it
 might be premature to replace avogadro1 with it for the Debian release.

Avogadro 2 is totally compatible with being installed in the same
prefix as Avogadro 1, would it be reasonable to package it as as well
as Avogadro 1 rather than replacing? The executable is avogadro2, the
libraries have different names, share directory etc.

Just a thought, if not then I am fine with holding off but I think it
would be nice to consider. Thanks for pushing us on this - it would be
great to get what we can in before the freeze.

Marcus

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Re: [Avogadro-devel] Avogadro 1.1.x and Linux Distributions

2014-08-29 Thread Michael Banck
Hi,

On Fri, Aug 29, 2014 at 07:04:25PM -0400, Marcus D. Hanwell wrote:
 On Fri, Aug 29, 2014 at 6:58 PM, Michael Banck mba...@debian.org wrote:
  If avogadro2 is out by then, I can see about getting it packaged, but it
  might be premature to replace avogadro1 with it for the Debian release.
 
 Avogadro 2 is totally compatible with being installed in the same
 prefix as Avogadro 1, would it be reasonable to package it as as well
 as Avogadro 1 rather than replacing? The executable is avogadro2, the
 libraries have different names, share directory etc.
 
 Just a thought, if not then I am fine with holding off but I think it
 would be nice to consider. Thanks for pushing us on this - it would be
 great to get what we can in before the freeze.

That's certainly possible, but new packages need to get through manual
archive review before they enter, and the last one I uploaded from
scratch needed a couple of months.  I guess the backlog will be cleared
up, but who knows.  So yeah, if avogadro2 is out by then it could also
be an alternative, if we manage to package it fast enough.


Michael

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