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Avogadro 1.1.0 Released


#1

We are very proud to announce the availability of Avogadro 1.1.0.

Avogadro is a free, open source, cross-platform molecular editor
designed for flexible use in computational chemistry, molecular
modeling, bioinformatics, materials science, and related areas.
Packages are available for Windows, Linux and Mac OS X. The source
code source is available under the GNU GPLv2.

What does Avogadro do?

  • We’ve tried to make the best, most intuitive “builder,” including
    common fragments, downloading directly from PDB or PubChem, and
    peptide sequences
  • Innovative “auto-optimize” tool which allows you to continue to
    build and modify, during molecular mechanics optimization
  • Interfaces to many common computational packages
  • Designed to help both educational users and advanced research
  • Plugins that allow Avogadro to be extended and customized
  • Well defined public API, library and Python bindings for development
  • Embedded Python interpreter
  • Translations available in 19+ languages

Download: https://sourceforge.net/projects/avogadro/files/avogadro/1.1.0

What’s New? See the Release Notes:
http://avogadro.openmolecules.net/wiki/Avogadro_1.1.0

For more information: http://avogadro.openmolecules.net/wiki/

If you use Avogadro please check out the recently published Avogadro
paper, and consider citing it: http://www.jcheminf.com/content/4/1/17

This is a community project and we couldn’t have made this release
without you. Many thanks to all the contributors to Avogadro including
those of you who submitted feedback, bug reports, and code. Particular
thanks go to all the translators.


#2

Hi,

On Wed, Sep 12, 2012 at 02:07:21PM -0400, Marcus D. Hanwell wrote:

We are very proud to announce the availability of Avogadro 1.1.0.

[…]

Download: https://sourceforge.net/projects/avogadro/files/avogadro/1.1.0

What’s New? See the Release Notes:
http://avogadro.openmolecules.net/wiki/Avogadro_1.1.0

The release notes mention that this is a Beta release and that a 1.2.0
release is forthcoming. Is this still the case, or was this changed
later on and 1.1.0 is a stable public release?

If not, what is the timeline for a 1.2.0 release?

Michael


#3

On Fri, Apr 26, 2013 at 11:13 AM, Michael Banck [email protected] wrote:

Hi,

On Wed, Sep 12, 2012 at 02:07:21PM -0400, Marcus D. Hanwell wrote:

We are very proud to announce the availability of Avogadro 1.1.0.

[…]

Download: https://sourceforge.net/projects/avogadro/files/avogadro/1.1.0

What’s New? See the Release Notes:
http://avogadro.openmolecules.net/wiki/Avogadro_1.1.0

The release notes mention that this is a Beta release and that a 1.2.0
release is forthcoming. Is this still the case, or was this changed
later on and 1.1.0 is a stable public release?

If not, what is the timeline for a 1.2.0 release?

There were a lot of changes made in 1.1.0, and new stability issues
have cropped up since we made the release. I think we should make a
1.1.1 release addressing some of the stability issues if possible. Is
there a distro freeze date pressing?

Thanks,

Marcus


#4

Hi,

On Fri, Apr 26, 2013 at 11:25:40AM -0400, Marcus D. Hanwell wrote:

On Fri, Apr 26, 2013 at 11:13 AM, Michael Banck [email protected] wrote:

Hi,

On Wed, Sep 12, 2012 at 02:07:21PM -0400, Marcus D. Hanwell wrote:

We are very proud to announce the availability of Avogadro 1.1.0.

[…]

Download: https://sourceforge.net/projects/avogadro/files/avogadro/1.1.0

What’s New? See the Release Notes:
http://avogadro.openmolecules.net/wiki/Avogadro_1.1.0

The release notes mention that this is a Beta release and that a 1.2.0
release is forthcoming. Is this still the case, or was this changed
later on and 1.1.0 is a stable public release?

If not, what is the timeline for a 1.2.0 release?

There were a lot of changes made in 1.1.0, and new stability issues
have cropped up since we made the release. I think we should make a
1.1.1 release addressing some of the stability issues if possible. Is
there a distro freeze date pressing?

No, Ubuntu has just and Debian will soon release, so I was looking at
packaging new upstream release and was wondering whether 1.1.0 should
get uploaded as stable or not.

Michael


#5

Hi,

On Fri, Apr 26, 2013 at 11:25:40AM -0400, Marcus D. Hanwell wrote:

On Fri, Apr 26, 2013 at 11:13 AM, Michael Banck [email protected] wrote:

Hi,

On Wed, Sep 12, 2012 at 02:07:21PM -0400, Marcus D. Hanwell wrote:

We are very proud to announce the availability of Avogadro 1.1.0.

[…]

Download: https://sourceforge.net/projects/avogadro/files/avogadro/1.1.0

What’s New? See the Release Notes:
http://avogadro.openmolecules.net/wiki/Avogadro_1.1.0

The release notes mention that this is a Beta release and that a 1.2.0
release is forthcoming. Is this still the case, or was this changed
later on and 1.1.0 is a stable public release?

If not, what is the timeline for a 1.2.0 release?

There were a lot of changes made in 1.1.0, and new stability issues
have cropped up since we made the release. I think we should make a
1.1.1 release addressing some of the stability issues if possible.

Your answer does not address the question whether 1.1.0 is considered to
be a “real” release, or a beta/development release leading up to 1.2.0.

At this point, I assume that a 1.2.0 release will be unlikely, so
distributors should package 1.1.0 (or a possibly forthcoming 1.1.1
release?) while 2.x is still in development, right?

Michael


#6

On Wed, Oct 16, 2013 at 6:40 PM, Michael Banck [email protected] wrote:

Hi,

On Fri, Apr 26, 2013 at 11:25:40AM -0400, Marcus D. Hanwell wrote:

On Fri, Apr 26, 2013 at 11:13 AM, Michael Banck [email protected] wrote:

Hi,

On Wed, Sep 12, 2012 at 02:07:21PM -0400, Marcus D. Hanwell wrote:

We are very proud to announce the availability of Avogadro 1.1.0.

[…]

Download: https://sourceforge.net/projects/avogadro/files/avogadro/1.1.0

What’s New? See the Release Notes:
http://avogadro.openmolecules.net/wiki/Avogadro_1.1.0

The release notes mention that this is a Beta release and that a 1.2.0
release is forthcoming. Is this still the case, or was this changed
later on and 1.1.0 is a stable public release?

If not, what is the timeline for a 1.2.0 release?

There were a lot of changes made in 1.1.0, and new stability issues
have cropped up since we made the release. I think we should make a
1.1.1 release addressing some of the stability issues if possible.

Your answer does not address the question whether 1.1.0 is considered to
be a “real” release, or a beta/development release leading up to 1.2.0.

At this point, I assume that a 1.2.0 release will be unlikely, so
distributors should package 1.1.0 (or a possibly forthcoming 1.1.1
release?) while 2.x is still in development, right?

I would consider it a beta, and we have done some work to attempt to
stabilize it after many changes were made. I want to cut a 1.1.1 soon,
but there are still quite a few issues. If you would like to package
it then you can, but the intent (much delayed) is to release a 1.2.0,
but master has seen much-reduced activity.

I made entirely certain that Avogadro 2 can be installed in the same
prefix as Avogadro, so perhaps 1.1.0 with all the extra features and 2
with the reduced feature set as we build things up and port them would
be acceptable?

Marcus


#7

stabilize it after many changes were made. I want to cut a 1.1.1 soon,
but there are still quite a few issues. If you would like to package
it then you can, but the intent (much delayed) is to release a 1.2.0,
but master has seen much-reduced activity.

Part of the hold-up has been that I came up for tenure and have been busy with these kinds of things.

I intend to make sure a 1.2.0 release hits by the end of the year. I’ll also hope to have some news about a variety of Avogadro-related plans.

-Geoff