Release Milestones & Project Status

We haven’t talked about a release much. I think it’s worth some discussion just to bring life back to the mailing lists. :slight_smile:

First some good news. Even though there haven’t been many code updates, there’s a lot of progress on other fronts.

  1. Marcus got money from the US Army Core of Engineers to improve Avogadro, including a queueing system, an integrated SQL database for storing and querying calculations, and several other things. The first phase is done, and there’s hope for Phase II funding.

I believe Marcus intends to start integrating that code later this summer.

  1. As discussed earlier on the list, Kitware has a Google Summer of Code student to work on VTK chemistry support. That’s David Lonie, and the intent is to enable Avogadro-VTK integration for improved visualization (e.g., volumetric rendering).

  2. I received some money through the DoD’s high performance computing PETTT funding to improve support for building and editing crystals/surfaces in Avogadro, including interfaces to Abinit, LAMMPS, and a bit more. David was working independently on other bits, so I think in the next few months, Avogadro will have some great support for surfaces. Polymers are also on the agenda.

Anyone interested in these projects, please let us know.

As part of #3, I need to make a 1.1.0 release by the end of August. We need one anyway. My feeling is that we should improve the current development trunk to make 1.1/1.2 releases and then aim for a 2.0 release sometime in the 2nd half of 2012.

Thoughts?
-Geoff

P.S. Early next month, we’ll push above 200,000 downloads: https://sourceforge.net/projects/avogadro/files/stats/timeline?dates=2006-04-15+to+2011-07-24

On Sun, Jul 24, 2011 at 1:35 PM, Geoffrey Hutchison geoff.hutchison@gmail.com wrote:

We haven’t talked about a release much. I think it’s worth some discussion just to bring life back to the mailing lists. :slight_smile:

First some good news. Even though there haven’t been many code updates, there’s a lot of progress on other fronts.

  1. Marcus got money from the US Army Core of Engineers to improve Avogadro, including a queueing system, an integrated SQL database for storing and querying calculations, and several other things. The first phase is done, and there’s hope for Phase II funding.

I believe Marcus intends to start integrating that code later this summer.

  1. As discussed earlier on the list, Kitware has a Google Summer of Code student to work on VTK chemistry support. That’s David Lonie, and the intent is to enable Avogadro-VTK integration for improved visualization (e.g., volumetric rendering).

If anyone who is interested missed the earlier post, here is some more
information on the project:


I’ll be sending out another email on this subject later today. I’d
like to get some community requests now that basic rendering is
working.

  1. I received some money through the DoD’s high performance computing PETTT funding to improve support for building and editing crystals/surfaces in Avogadro, including interfaces to Abinit, LAMMPS, and a bit more. David was working independently on other bits, so I think in the next few months, Avogadro will have some great support for surfaces. Polymers are also on the agenda.

Anyone interested in these projects, please let us know.

As part of #3, I need to make a 1.1.0 release by the end of August. We need one anyway. My feeling is that we should improve the current development trunk to make 1.1/1.2 releases and then aim for a 2.0 release sometime in the 2nd half of 2012.

I agree – a release from trunk is long overdue.

I have a few bugs to fix and features requests to add before we do
this. Should we go ahead and set a timeline for the next 1.1.x
release?

P.S. Early next month, we’ll push above 200,000 downloads: https://sourceforge.net/projects/avogadro/files/stats/timeline?dates=2006-04-15+to+2011-07-24

Very cool!

Dave

Hi Geoff,

On Sun, Jul 24, 2011 at 1:35 PM, Geoffrey Hutchison geoff.hutchison@gmail.com wrote:

We haven’t talked about a release much. I think it’s worth some discussion just to bring life back to the mailing lists. :slight_smile:

First some good news. Even though there haven’t been many code updates, there’s a lot of progress on other fronts.

  1. Marcus got money from the US Army Core of Engineers to improve Avogadro, including a queueing system, an integrated SQL database for storing and querying calculations, and several other things. The first phase is done, and there’s hope for Phase II funding.

I will certainly be talking about this, and will be releasing more of
this work once I have it in a more general form. The Phase II funding
would be a much bigger multi-year project with a larger team, and I
will certainly let people know here as soon as I know more.

  1. As discussed earlier on the list, Kitware has a Google Summer of Code student to work on VTK chemistry support. That’s David Lonie, and the intent is to enable Avogadro-VTK integration for improved visualization (e.g., volumetric rendering).

  2. I received some money through the DoD’s high performance computing PETTT funding to improve support for building and editing crystals/surfaces in Avogadro, including interfaces to Abinit, LAMMPS, and a bit more. David was working independently on other bits, so I think in the next few months, Avogadro will have some great support for surfaces. Polymers are also on the agenda.

That is great news.

Anyone interested in these projects, please let us know.

As part of #3, I need to make a 1.1.0 release by the end of August. We need one anyway. My feeling is that we should improve the current development trunk to make 1.1/1.2 releases and then aim for a 2.0 release sometime in the 2nd half of 2012.

I think that is a great idea, I will be out of the office (OSCON this
week, and Desktop Summit in early August), and will be talking about
our work at both meetings. With 2.0 I am eager to get working on this
and would want to make alpha/betas earlier, but that time frame seems
reasonable for a stable release.

I would like to start making progress on relicensing code that can be
relicensed, leading into the 2.0 project. That is something I have
been meaning to push ahead with, and it would be great to get a
feeling for how much could be used. For new work it would be great to
start putting it under BSD license from the start to avoid more work
in the future (unless it cannot be for some reason).

Marcus

On Jul 25, 2011, at 12:17 PM, David Lonie wrote:

I have a few bugs to fix and features requests to add before we do
this. Should we go ahead and set a timeline for the next 1.1.x
release?

Yes, definitely add bugs/features to the tracker for the 1.1 releases. I think you’re asking for a date/time for 1.1.1? It’s open for discussion, but I’d say maybe 2-3 months, so maybe October/Nov.? There’s obviously a nice date on Oct. 23rd. considering that’s National Chemistry Week during the International Year of Chemistry. :slight_smile:

-Geoff