Search results

MDAnalysis fails with Cython 3.1.0

installation

maintainability

Priority-High

testing

Status: Open.

Bug

#5057 In MDAnalysis/mdanalysis;

· IAlibay opened on May 31, 2025

MAINT: rounding residue partial charges

Format-Amber

maintainability

Status: Open (in progress).

MDAnalysis/mdanalysisnumber 5035

#5035 In MDAnalysis/mdanalysis;

· tylerjereddy opened on Apr 18, 2025

TST, MAINT: test_thread_limit_apply failure with NumPy 2.1.0.dev

maintainability

Status: Open.

#4570 In MDAnalysis/mdanalysis;

· tylerjereddy opened on Apr 19, 2024

Aim for SPEC0 adherence over NEP29

maintainability

policy

upstreamissue in a dependencyissue in a dependency

Status: Open.

#4536 In MDAnalysis/mdanalysis;

· orbeckst opened on Mar 27, 2024

Remove joblib as a dependency

maintainability

remove-3.0deprecated and remove in release 3.0deprecated and remove in release 3.0

Status: Open.

#4337 In MDAnalysis/mdanalysis;

· IAlibay opened on Nov 5, 2023

 ·  

Release 3.0

Make matplotlib an optional dependency

maintainability

Status: Open.

#4336 In MDAnalysis/mdanalysis;

· IAlibay opened on Nov 5, 2023

 ·  

Release 3.0

Deprecate <code>ts</code> argument to _read_next_timestep

Component-Readers

maintainability

Status: Open (in progress).

MDAnalysis/mdanalysisnumber 4334

#4334 In MDAnalysis/mdanalysis;

· hmacdope opened on Nov 5, 2023

Remove readonly tmpdir hack post python 3.9

maintainability

testing

upstreamissue in a dependencyissue in a dependency

Status: Open.

#4123 In MDAnalysis/mdanalysis;

· IAlibay opened on Apr 9, 2023

 ·  

Release 3.0

MAINT, ENH: more pathlib support tasks

Component-Readers

enhancement

maintainability

Status: Open.

#3937 In MDAnalysis/mdanalysis;

· tylerjereddy opened on Nov 24, 2022

 ·  

Release 3.0

[proposal] Move constants and conversion factors in <code>units.py</code> to pint

CZI-performanceperformance track of CZIEOSS4 grantperformance track of CZIEOSS4 grant

maintainability

units

Status: Open.

#3924 In MDAnalysis/mdanalysis;

· hmacdope opened on Nov 16, 2022

Remove distutils uses

maintainability

refactoring

Status: Open.

#3864 In MDAnalysis/mdanalysis;

· IAlibay opened on Oct 14, 2022

 ·  

Release 3.0

MAINT: improve auto-labeling

maintainability

Status: Open.

#3813 In MDAnalysis/mdanalysis;

· tylerjereddy opened on Sep 5, 2022