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some more regex string fixes; and: use numpy.nan instead of numpy.NAN #288

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merged 8 commits into from
Sep 14, 2024

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hsk17
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@hsk17 hsk17 commented Jul 10, 2024

numpy-2 has dropped NAN and NaN
(numpy documentation still says "NaN and NAN are aliases of nan" but this is obviously wrong)

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codecov bot commented Sep 13, 2024

Codecov Report

Attention: Patch coverage is 0% with 1 line in your changes missing coverage. Please review.

Project coverage is 0.00%. Comparing base (a3d73b9) to head (51f9add).
Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
gromacs/fileformats/mdp.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@          Coverage Diff          @@
##            main    #288   +/-   ##
=====================================
  Coverage   0.00%   0.00%           
=====================================
  Files         22      22           
  Lines       3954    3954           
=====================================
  Misses      3954    3954           

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@orbeckst orbeckst left a comment

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Thank you for the fix. Sorry, I hadn't seen the PR.

I'll also add you to the CHANGES.

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I will merge the PR in a few days or sooner if I hear from you. Thank you for your contribution.

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@orbeckst orbeckst self-assigned this Sep 14, 2024
@orbeckst orbeckst merged commit 799f8b8 into Becksteinlab:main Sep 14, 2024
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2 participants