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Exclude bad rdkit version for mypy check#5405

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orbeckst merged 1 commit into
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fix-mypy-rdkit
Jun 22, 2026
Merged

Exclude bad rdkit version for mypy check#5405
orbeckst merged 1 commit into
developfrom
fix-mypy-rdkit

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@IAlibay

@IAlibay IAlibay commented Jun 22, 2026

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There's an issue with rdkit 2026.03.3 when it comes to type checking - I believe it's being addressed upstream.

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LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: no

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  • [-] Issue raised/referenced?
  • [-] Tests updated/added?
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  • [-] package/CHANGELOG file updated?
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I certify that I can submit this code contribution as described in the Developer Certificate of Origin, under the MDAnalysis LICENSE.

@IAlibay IAlibay requested review from BradyAJohnston and RMeli June 22, 2026 10:49
@codecov

codecov Bot commented Jun 22, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 93.62%. Comparing base (8783f8d) to head (d92a3ae).

Additional details and impacted files
@@           Coverage Diff            @@
##           develop    #5405   +/-   ##
========================================
  Coverage    93.62%   93.62%           
========================================
  Files          182      182           
  Lines        22509    22509           
  Branches      3202     3202           
========================================
+ Hits         21073    21075    +2     
+ Misses         967      965    -2     
  Partials       469      469           

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neat work-around

@orbeckst orbeckst merged commit c651131 into develop Jun 22, 2026
16 of 25 checks passed
@orbeckst orbeckst deleted the fix-mypy-rdkit branch June 22, 2026 20:05
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2 participants