Avogadro 1.0.1 tagged and sources uploaded

Announcements
1

Hi,

I wanted to let you know that I set the final tag, made source tarballs and
uploaded them to Sourceforge. I have not yet made the release announcements
etc. Does someone want to volunteer to make the Windows binaries? I assume
Geoff will make the Mac binaries when he has chance.

Konstantin - I applied some of the patches you suggested, but some did not
look safe, and due to all of the changes in master many did not cleanly apply.
I wanted to get something out now with at least some fixes.

We can always make a 1.0.2 release if you wish to backport more of the
changes, but I would like to focus primarily on bug fixes and keeping 1.0
stable. I think it would be great to release 1.1 binaries with some of the new
features in too, I have had some issues building master, so there may be some
stabilization and testing required. I guess the bigger blocker would be
getting an OpenBabel release.

Anyway, it is up. I am really busy this weekend, and and next week. I need to
get some other stuff to Geoff, and have a course to teach and some work
deadlines. So I think in the next week I can get the release announcements
out, but would appreciate help with building binaries, updating wikis, etc.

Best wishes,

Marcus

2

В Sun, 2 May 2010 12:55:08 -0400
“Marcus D. Hanwell” marcus@cryos.org wrote:

Hi,

I wanted to let you know that I set the final tag, made source
tarballs and uploaded them to Sourceforge.

Many thanks! I think we should roll releases more often, or people will
think we’re dead :slight_smile:

I have not yet made the
release announcements etc. Does someone want to volunteer to make the
Windows binaries? I assume Geoff will make the Mac binaries when he
has chance.

I can build (experimental) relocatable distribution-independent binaries
(32, 32+SSE2 and 664 bit) for Linux. But I didn’t solved all problems
with Python, so can’t include it yet (

What OB version? 2.2.3?

Earlier we discussed a possibility of patch-release 2.2.4. For example,
it would be nice to have PCGamess support (just one line of code added
by me too late)

Konstantin - I applied some of the patches you suggested, but some
did not look safe, and due to all of the changes in master many did
not cleanly apply. I wanted to get something out now with at least
some fixes.

I believe you have more programming and project management experience
than me, so let you decide what is worth to include and what isn’t.
Also, I’m not a user of 1.0.x branch since it lacks many things I need.

We can always make a 1.0.2 release if you wish to backport more of
the changes, but I would like to focus primarily on bug fixes and
keeping 1.0 stable.

I’m absolutely agree with you

I think it would be great to release 1.1 binaries
with some of the new features in too, I have had some issues building
master

what? Maybe it’s needed to merge my branch, there was some issue with
OpenGL headers

, so there may be some stabilization and testing required. I
guess the bigger blocker would be getting an OpenBabel release.

Maybe trunk is fine too? It doesn’t seem to produce crashes

Anyway, it is up. I am really busy this weekend, and and next week. I
need to get some other stuff to Geoff, and have a course to teach and
some work deadlines.

Good luck!

So I think in the next week I can get the
release announcements out, but would appreciate help with building
binaries, updating wikis, etc.

Best wishes,

Marcus

Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
avogadro-devel List Signup and Options

–
Regards,
Konstantin

3

On Sunday 02 May 2010 13:15:30 Konstantin Tokarev wrote:

В Sun, 2 May 2010 12:55:08 -0400

“Marcus D. Hanwell” marcus@cryos.org wrote:

Hi,

I wanted to let you know that I set the final tag, made source
tarballs and uploaded them to Sourceforge.

Many thanks! I think we should roll releases more often, or people will
think we’re dead :slight_smile:

I totally agree.

I have not yet made the
release announcements etc. Does someone want to volunteer to make the
Windows binaries? I assume Geoff will make the Mac binaries when he
has chance.

I can build (experimental) relocatable distribution-independent binaries
(32, 32+SSE2 and 664 bit) for Linux. But I didn’t solved all problems
with Python, so can’t include it yet (

Python has always been a tough one, I think the Mac build still lacks it.

What OB version? 2.2.3?

Latest stable, so that would be great (and what I have tested).

Earlier we discussed a possibility of patch-release 2.2.4. For example,
it would be nice to have PCGamess support (just one line of code added
by me too late)

Sounds reasonable, but I defer to Geoff in all matters OpenBabel related.

Konstantin - I applied some of the patches you suggested, but some
did not look safe, and due to all of the changes in master many did
not cleanly apply. I wanted to get something out now with at least
some fixes.

I believe you have more programming and project management experience
than me, so let you decide what is worth to include and what isn’t.
Also, I’m not a user of 1.0.x branch since it lacks many things I need.

That is fair enough. For 1.0 I would like to keep an emphasis on stability,
and avoid adding new features. I deleted KDE’s snapshot of Avogadro, and it
will be using system Avogadro in the next release. So they will be our first
big customer.

We can always make a 1.0.2 release if you wish to backport more of
the changes, but I would like to focus primarily on bug fixes and
keeping 1.0 stable.

I’m absolutely agree with you

I think it would be great to release 1.1 binaries
with some of the new features in too, I have had some issues building
master

what? Maybe it’s needed to merge my branch, there was some issue with
OpenGL headers

I was going to take a better look once the 1.0.1 release was done. I committed
one fix, as the link to the GL libs was still required.

, so there may be some stabilization and testing required. I
guess the bigger blocker would be getting an OpenBabel release.

Maybe trunk is fine too? It doesn’t seem to produce crashes

Making a release that depends on an unreleased dependency it not great. If we
just wanted to make binaries that contained our own snapshot of trunk that
could be a good compromise possibly.

Anyway, it is up. I am really busy this weekend, and and next week. I
need to get some other stuff to Geoff, and have a course to teach and
some work deadlines.

Good luck!

Thanks, I am somewhat around but behind on a few things I need to finalize.

Thanks for all your hard work too!

Best wishes,

Marcus

4

On May 2, 2010, at 1:28 PM, Marcus D. Hanwell wrote:

Python has always been a tough one, I think the Mac build still lacks it.

I’ll probably package a Python build, but boost.python will require it to be the bleeding-edge Mac OS releases.

Maybe trunk is fine too? It doesn’t seem to produce crashes

Making a release that depends on an unreleased dependency it not great. If we
just wanted to make binaries that contained our own snapshot of trunk that
could be a good compromise possibly.

There never seemed to be a problem with depending on Open Babel trunk for the 0.9 development releases. I think there are already multiple features in Avogadro HEAD which rely on OB trunk.

I’ve made a few beta releases of OB trunk as we lead up to the 2.3 release. I don’t think there’s any problem with relying on it. I suspect it will appear as OB-2.3.0 in a few months.

Best regards,
-Geoff

5

On Sunday 02 May 2010 16:18:50 Geoffrey Hutchison wrote:

On May 2, 2010, at 1:28 PM, Marcus D. Hanwell wrote:

Python has always been a tough one, I think the Mac build still lacks it.

I’ll probably package a Python build, but boost.python will require it to
be the bleeding-edge Mac OS releases.

Sounds great.

Maybe trunk is fine too? It doesn’t seem to produce crashes

Making a release that depends on an unreleased dependency it not great.
If we just wanted to make binaries that contained our own snapshot of
trunk that could be a good compromise possibly.

There never seemed to be a problem with depending on Open Babel trunk for
the 0.9 development releases. I think there are already multiple features
in Avogadro HEAD which rely on OB trunk.

I’ve made a few beta releases of OB trunk as we lead up to the 2.3 release.
I don’t think there’s any problem with relying on it. I suspect it will
appear as OB-2.3.0 in a few months.

I didn’t realize you had made a few beta releases (lost track a little), that
was all I meant that we needed. Something with a tarball and a version number,
so it seems like we would be good to go making an Avogadro 1.1 release. An
unstable release relying on another unstable release is totally fine IMHO.

Best wishes,

Marcus

6

Maybe trunk is fine too? It doesn’t seem to produce crashes

Making a release that depends on an unreleased dependency it not
great. If we just wanted to make binaries that contained our own
snapshot of trunk that could be a good compromise possibly.

There never seemed to be a problem with depending on Open Babel
trunk for the 0.9 development releases. I think there are already
multiple features in Avogadro HEAD which rely on OB trunk.

I’ve made a few beta releases of OB trunk as we lead up to the 2.3
release. I don’t think there’s any problem with relying on it. I
suspect it will appear as OB-2.3.0 in a few months.

I didn’t realize you had made a few beta releases (lost track a
little), that was all I meant that we needed. Something with a
tarball and a version number, so it seems like we would be good to go
making an Avogadro 1.1 release. An unstable release relying on
another unstable release is totally fine IMHO.

Nevertheless, Avogadro trunk should be compilable with 2.2.3 because
all uses of new features are in #ifdefs (needs check though)

–
Regards,
Konstantin

7

I wanted to let you know that I set the final tag, made source
tarballs and uploaded them to Sourceforge. I have not yet made the
release announcements etc.

I’ve added approximate list of my fixes to snapshot of Release Notes
http://avogadro.openmolecules.net/wiki/Avogadro_1.0.1
I didn’t try to sum up fixes made by others though

–
Regards,
Konstantin

8

On Sun, May 2, 2010 at 6:55 PM, Marcus D. Hanwell marcus@cryos.org wrote:

Hi,

I wanted to let you know that I set the final tag, made source tarballs and
uploaded them to Sourceforge. I have not yet made the release announcements
etc. Does someone want to volunteer to make the Windows binaries?

I’ll see what I can do. (I hope I have still have a windows VM with
all tools installed. My desktop is still broken… In the worst case
it will take a bit longer)

Tim

I assume
Geoff will make the Mac binaries when he has chance.

Konstantin - I applied some of the patches you suggested, but some did not
look safe, and due to all of the changes in master many did not cleanly apply.
I wanted to get something out now with at least some fixes.

We can always make a 1.0.2 release if you wish to backport more of the
changes, but I would like to focus primarily on bug fixes and keeping 1.0
stable. I think it would be great to release 1.1 binaries with some of the new
features in too, I have had some issues building master, so there may be some
stabilization and testing required. I guess the bigger blocker would be
getting an OpenBabel release.

Anyway, it is up. I am really busy this weekend, and and next week. I need to
get some other stuff to Geoff, and have a course to teach and some work
deadlines. So I think in the next week I can get the release announcements
out, but would appreciate help with building binaries, updating wikis, etc.

Best wishes,

Marcus

Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
avogadro-devel List Signup and Options

9

On Mon, May 3, 2010 at 7:28 PM, Tim Vandermeersch
tim.vandermeersch@gmail.com wrote:

On Sun, May 2, 2010 at 6:55 PM, Marcus D. Hanwell marcus@cryos.org wrote:

Hi,

I wanted to let you know that I set the final tag, made source tarballs and
uploaded them to Sourceforge. I have not yet made the release announcements
etc. Does someone want to volunteer to make the Windows binaries?

I’ll see what I can do. (I hope I have still have a windows VM with
all tools installed. My desktop is still broken… In the worst case
it will take a bit longer)

The avogadro-1.0.1-python-win32.exe and avogadro-1.0.1-win32.exe
installers are on sourceforge.net.

Tim

I assume
Geoff will make the Mac binaries when he has chance.

Konstantin - I applied some of the patches you suggested, but some did not
look safe, and due to all of the changes in master many did not cleanly apply.
I wanted to get something out now with at least some fixes.

We can always make a 1.0.2 release if you wish to backport more of the
changes, but I would like to focus primarily on bug fixes and keeping 1.0
stable. I think it would be great to release 1.1 binaries with some of the new
features in too, I have had some issues building master, so there may be some
stabilization and testing required. I guess the bigger blocker would be
getting an OpenBabel release.

Anyway, it is up. I am really busy this weekend, and and next week. I need to
get some other stuff to Geoff, and have a course to teach and some work
deadlines. So I think in the next week I can get the release announcements
out, but would appreciate help with building binaries, updating wikis, etc.

Best wishes,

Marcus

Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
avogadro-devel List Signup and Options