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Hey all,
The first release of datreant.core (0.6.0) is finally here! It can be installed directly from PyPI with pip:
pip install datreant.core
This release is the result of nearly 3 years of development, with beginnings in the molecular dynamics-specific package MDSynthesis, and wouldn't have the form it has today without the feedback and efforts of the brave folks that gave it a go pre-release.
Check out the full documentation for details on how the package works in practice. Please don't be shy to submit issues; the work toward 0.7.0 will be focused on ensuring robustness of the existing codebase (in particular getting the test coverage above 90%), as well as to fill in missing functionality that one would expect given how the components should work together.
Cheers!
David
Max Linke
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Mar 26, 2016, 2:21:20 PM3/26/16
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Great. Congratulations for that.
I'll should have time soon again to setup some new simulations. I'll
give this a try then and likely recommend it to colleagues.
best Max
On 03/26/2016 07:06 PM, David Dotson wrote:
> Hey all,
>
> The first release of datreant.core (0.6.0) is finally here! It can be
> installed directly from PyPI
>
> pip install datreant.core
>
> This release is the result of nearly 3 years of development, with
> beginnings in the molecular dynamics-specific package MDSynthesis
> 0.7.0 will be focused on ensuring robustness of the existing codebase
> (in particular getting the test coverage above 90%), as well as to fill
> in missing functionality that one would expect given how the components
> should work together.
>
> Cheers!
>
> David
>
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You did an awesome job David. Changing the imports is enough to reuse my
old scripts. That's create considering all the changes that went on
under the hood.
I'm also busy adding issues for all new annoying things I notice.
best Max
On 03/26/2016 07:06 PM, David Dotson wrote:
> Hey all,
>
> The first release of datreant.core (0.6.0) is finally here! It can be
> installed directly from PyPI
>
> pip install datreant.core
>
> This release is the result of nearly 3 years of development, with
> beginnings in the molecular dynamics-specific package MDSynthesis
> 0.7.0 will be focused on ensuring robustness of the existing codebase
> (in particular getting the test coverage above 90%), as well as to fill
> in missing functionality that one would expect given how the components
> should work together.
>
> Cheers!
>
> David
>
David Dotson
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May 6, 2016, 4:16:26 PM5/6/16
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to Max Linke, datr...@googlegroups.com
Thanks! I hope it proves useful to you. Please keep adding issues for anything you find; this very much drives development and makes the library better.