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MDAnalysis is a Python library to analyze molecular dynamics simulations.
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Array to scalar deprecation warning #4339

Open IAlibay opened 12 months ago

IAlibay commented 12 months ago

From nightly wheels cron CI:

2023-11-03T03:16:21.1300895Z /home/runner/work/mdanalysis/mdanalysis/package/MDAnalysis/analysis/nuclinfo.py:302: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) 2023-11-03T03:16:21.1302468Z phase_ang = (atan2(D, C) + (pi / 2.)) * 180. / pi

Yash-g17 commented 8 months ago

Hello I feel this is a good first issue for me , would be glad to take this up

orbeckst commented 7 months ago

@Yash-g17 sorry for the delayed response. You (and anybody else) is very welcome to take on any issue. Please create a PR and in the issue text include this issue number, which links your PR to this issue.

laksh-krishna-sharma commented 1 month ago

May I work on this issue with a little bit of your guidance?

laksh-krishna-sharma commented 2 weeks ago

Hello @orbeckst , may i work on this issue with a bit of your guidance

orbeckst commented 2 weeks ago

Thank you for your interest. Please see my previous answer https://github.com/MDAnalysis/mdanalysis/issues/4339#issuecomment-2019085039 .

dimeneman commented 1 week ago

I want to contribute in this issue. Please assign it to me .

orbeckst commented 1 week ago

Hello @dimeneman , we do not assign issues — please create a PR and link it to this issue and then we can review it.

orbeckst commented 1 week ago

Except that PR #4730 is already open. We will re-review that one first.

I would not recommend starting a PR while another one for the same issue is open.