Re: [Avogadro-devel] Compile failures on the dashboard

2012-02-14 Thread Geoff Hutchison
 Are there other outstanding problems that need to be resolved? I need
 to take a look at the Windows submission as it is reporting a
 conflict, it would be good to get some new binaries out for Windows.

I intend on polishing up the slab builder this week, and I think it would be 
good to merge some of David's features currently in Gerrit.

Otherwise, I think we've been in good shape. We'll need more testing, since 
w'eve been a bit crashy for a while.

-Geoff
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Re: [Avogadro-devel] Compile failures on the dashboard

2012-02-14 Thread David Lonie
On Mon, Feb 13, 2012 at 4:16 PM, Marcus D. Hanwell
marcus.hanw...@kitware.com wrote:
 I think it would be great to get a 1.1.0 release out sometime in the
 near future. I was looking at a couple of compilation failures on the
 dashboards, and have addressed some of them here,

 http://review.source.kitware.com/#/t/36/

 Albert just submitted a patch I merged to address something introduced
 by the terachem input deck generator. The Mac dashboard looks similar,
 with a fix in the code I submitted. I was going to revisit the extra
 attributes being removed from the fragment wrapping, but I think the
 rest of that patch is ready to go in.

 Are there other outstanding problems that need to be resolved? I need
 to take a look at the Windows submission as it is reporting a
 conflict, it would be good to get some new binaries out for Windows.

I have a topic branch I'd like to merge in before the next release:

http://review.source.kitware.com/#/t/66/

It modifies how the initial viewpoint is set for crystals and
orthographic projections.

It's also about time for bug-fixing weekend to catch up on the
tracker. Does anyone have time for this in the near future, e.g.
pre-release? I might be able to find a few hours this weekend to work
on this.

There was also a post about adding a submit backtrace on crash
feature -- this may be a good project to focus on, too.

Dave

 Marcus

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Re: [Avogadro-devel] OpenQube, Avogadro and Eigen 3

2012-02-14 Thread David Lonie
On Mon, Feb 13, 2012 at 6:27 PM, Marcus D. Hanwell
marcus.hanw...@kitware.com wrote:
 I wanted to let the list know that I just uploaded a patch porting
 OpenQube to use Eigen 3. Avogadro maintains a snapshot of it, and can
 optionally build against the system installed version. In the new work
 we are doing we want to use Eigen 3, and that was the motivation for
 porting to the newer Eigen. If there are updates that Avogadro wants
 before it moves to Eigen 3 I could just backport them. With a little
 more work we could add some #ifdefs, but I largely wanted to see how
 well this worked and avoid the complication of having to test any
 Eigen change twice (once with Eigen 2, and again with Eigen 3).

 The change is here,

 http://review.source.kitware.com/#/c/4260/

 I was not proposing to go through Avogadro and change everything, but
 for Avogadro 2 my intent is to depend on Eigen 3. After talking with
 Benoit, it seems that basic structures such as the vectors could
 probably be passed between APIs using Eigen 2 or Eigen 3 but I am not

 sure how much testing that has received.

 Thoughts?

Is there a rough date for Avogadro 2? My concern is that it is still
hard to find Eigen 3 on some distros. Even on arch, which stays fairly
bleeding edge, it is only available from a third party repo. I have a
feeling it may be more difficult for enterprise distros.

But then, is eigen really even a dependence for binary distros? Since
everything is templated and inline, we may only need to require
package builders to install Eigen 3. I'm not sure how acceptable this
would be to packagers.

Dave

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Re: [Avogadro-devel] Compile failures on the dashboard

2012-02-14 Thread Marcus D. Hanwell
On Tue, Feb 14, 2012 at 9:08 AM, David Lonie lonieda...@gmail.com wrote:
 On Mon, Feb 13, 2012 at 4:16 PM, Marcus D. Hanwell
 marcus.hanw...@kitware.com wrote:
 I think it would be great to get a 1.1.0 release out sometime in the
 near future. I was looking at a couple of compilation failures on the
 dashboards, and have addressed some of them here,

 http://review.source.kitware.com/#/t/36/

 Albert just submitted a patch I merged to address something introduced
 by the terachem input deck generator. The Mac dashboard looks similar,
 with a fix in the code I submitted. I was going to revisit the extra
 attributes being removed from the fragment wrapping, but I think the
 rest of that patch is ready to go in.

 Are there other outstanding problems that need to be resolved? I need
 to take a look at the Windows submission as it is reporting a
 conflict, it would be good to get some new binaries out for Windows.

 I have a topic branch I'd like to merge in before the next release:

 http://review.source.kitware.com/#/t/66/

Sounds reasonable - I was just taking a look at this topic. I was
hoping to work through all of the commits, and decide if they should
be merged, abandoned or fixed up and merged.

 It modifies how the initial viewpoint is set for crystals and
 orthographic projections.

 It's also about time for bug-fixing weekend to catch up on the
 tracker. Does anyone have time for this in the near future, e.g.
 pre-release? I might be able to find a few hours this weekend to work
 on this.

I am traveling this weekend unfortunately, but will try to make some
time before I leave. I have been going through a few of the open bugs
as and when I have had time.

 There was also a post about adding a submit backtrace on crash
 feature -- this may be a good project to focus on, too.

Agreed, but I would rather not delay a release for it. I think we are
well overdue. It would be good for us to make more regular releases
and get feedback. I keep showing off Avogadro, and having people ask
why they can't use feature x, and it is because we haven't made a
1.1.0 release with binaries. I need to get back on the Windows
packaging too, which could do with being rewritten but at least needs
a little patching up. That would allow for the easy creation of
nightly binaries on Windows at least.

Last I checked, Windows was still the one with the largest user base,
and the most need for testing as it has more crashers lurking than the
other two platforms.

Marcus

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