Re: [AMBER] Query about AmberTools21 conda distribution

From: David A Case <david.case.rutgers.edu>
Date: Sun, 9 May 2021 15:59:44 -0400

On Wed, May 05, 2021, Jan Brezovsky wrote:
>
>I have encountered a trouble with the new conda package. Upon installing
>it through conda, I am getting information that AmberTools is missing
>
> >> import pkg_resources
> >>> pkg_resources.get_distribution('ambertools')

>Traceback (most recent call last):
...
>   File
>"~/miniconda3/envs/new/lib/python3.8/site-packages/pkg_resources/__init__.py",
>line 785, in resolve
>     raise DistributionNotFound(req, requirers)
>pkg_resources.DistributionNotFound: The 'ambertools' distribution was
>not found and is required by the application
>
>While with the previous version I got expected behavior:
> >>> import pkg_resources
> >>> pkg_resources.get_distribution('ambertools')
>AmberTools 20.15 (~/miniconda3/envs/test_old/lib/python3.8/site-packages)
>
>In both cases, conda list reports presence of the respective AmberTools
>packages. However, I see that with the new version there is a new file
>(AmberUtils-21.0-py3.8.egg-info) in site-packages but nothing for
>AmberTools21.
>
>Is this intentional? Should the packages depending on AmberTools now
>adopt different import/requirements specifications?

Just a note: I've cc-ed this to those who know that most about Amber conda
packages, both past and present. We'll try to get a response as soon as we
can. (I see the same behavior that you see, but I don't know what to do
next.)

....dac



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Received on Sun May 09 2021 - 13:00:03 PDT
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