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Update scikit-learn version to 1.9.1 - #548

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Update scikit-learn version to 1.9.1#548
jan-janssen wants to merge 2 commits into
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scikit

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 97.90%. Comparing base (495f51d) to head (3316976).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #548   +/-   ##
=======================================
  Coverage   97.90%   97.90%           
=======================================
  Files          29       29           
  Lines        2004     2004           
=======================================
  Hits         1962     1962           
  Misses         42       42           

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@jan-janssen
jan-janssen marked this pull request as draft September 14, 2026 08:58
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The windows tests failed repeatedly:

C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\spglib\spg.py:438: DeprecationWarning: Set OLD_ERROR_HANDLING to false and catch the errors directly.
  _set_no_error(_throw)
C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\spglib\cell.py:106: DeprecationWarning: Set OLD_ERROR_HANDLING to false and catch the errors directly.
  _set_no_error()
..C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
.C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
..C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
.C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
.C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
..C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
....................C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\structuretoolkit\analyse\symmetry.py:469: DeprecationWarning: Set OLD_ERROR_HANDLING to false and catch the errors directly
  raise SymmetryError(spglib.error.get_error_message())
...C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\ase\atoms.py:432: DeprecationWarning: Setting the shape on a NumPy array has been deprecated in NumPy 2.5.
As an alternative, you can create a new view using np.reshape (with copy=False if needed).
  a.shape = (-1,) + shape
....C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\structuretoolkit\analyse\symmetry.py:417: DeprecationWarning: Set OLD_ERROR_HANDLING to false and catch the errors directly
  raise SymmetryError(spglib.error.get_error_message())
........C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\structuretoolkit\analyse\symmetry.py:350: DeprecationWarning: Set OLD_ERROR_HANDLING to false and catch the errors directly
  raise SymmetryError(spglib.error.get_error_message())
...C:\Users\runneradmin\miniconda3\envs\test\Lib\site-packages\structuretoolkit\analyse\symmetry.py:372: DeprecationWarning: Set OLD_ERROR_HANDLING to false and catch the errors directly
  raise SymmetryError(spglib.error.get_error_message())
.D:\a\_temp\484f4ebd-015b-4643-87a3-fbbf469676fd.sh: line 2:   780 Segmentation fault         coverage run

@jan-janssen
jan-janssen marked this pull request as ready for review September 14, 2026 10:08
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