pyiron / pyiron_atomistics

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
https://pyiron-atomistics.readthedocs.io
BSD 3-Clause "New" or "Revised" License
39 stars 15 forks source link

Bump scipy from 1.13.0 to 1.13.1 #1430

Closed dependabot[bot] closed 2 months ago

dependabot[bot] commented 2 months ago

Bumps scipy from 1.13.0 to 1.13.1.

Release notes

Sourced from scipy's releases.

SciPy 1.13.1 Release Notes

SciPy 1.13.1 is a bug-fix release with no new features compared to 1.13.0. The version of OpenBLAS shipped with the PyPI binaries has been increased to 0.3.27.

Authors

  • Name (commits)
  • h-vetinari (1)
  • Jake Bowhay (2)
  • Evgeni Burovski (6)
  • Sean Cheah (2)
  • Lucas Colley (2)
  • DWesl (2)
  • Ralf Gommers (7)
  • Ben Greiner (1) +
  • Matt Haberland (2)
  • Gregory R. Lee (1)
  • Philip Loche (1) +
  • Sijo Valayakkad Manikandan (1) +
  • Matti Picus (1)
  • Tyler Reddy (62)
  • Atsushi Sakai (1)
  • Daniel Schmitz (2)
  • Dan Schult (3)
  • Scott Shambaugh (2)
  • Edgar Andrés Margffoy Tuay (1)

A total of 19 people contributed to this release. People with a "+" by their names contributed a patch for the first time. This list of names is automatically generated, and may not be fully complete.

Commits
  • 44e4eba REL: SciPy 1.13.1 release commit [wheel build]
  • 2eb8e1b Merge pull request #20632 from tylerjereddy/treddy_prep_1_13_1_backports
  • 1a00d48 DOC: PR 20632 updates
  • 11e99ba BUG: stats: Fix zipf.pmf and zipfian.pmf for int32 k (#20702) [wheel bu...
  • 506cbeb MAINT: stats.wilcoxon: fix bug with Ndim>1, shape[axis]>50, NaN, 'auto' (#20592)
  • c9d8613 CI, MAINT: PR 20632 revisions
  • 95c50a4 MAINT: PR 20632 revisions [wheel build]
  • e7abaf1 MAINT: PR 20632 revisions [wheel build]
  • aa32933 CI: PR 20632 revisions [wheel build]
  • 023b0fb CI: MR 20632 revisions
  • Additional commits viewable in compare view


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coveralls commented 2 months ago

Pull Request Test Coverage Report for Build 9329737190

Details


Totals Coverage Status
Change from base Build 9252553662: 0.0%
Covered Lines: 10632
Relevant Lines: 14968

💛 - Coveralls
dependabot[bot] commented 2 months ago

OK, I won't notify you again about this release, but will get in touch when a new version is available. If you'd rather skip all updates until the next major or minor version, let me know by commenting @dependabot ignore this major version or @dependabot ignore this minor version. You can also ignore all major, minor, or patch releases for a dependency by adding an ignore condition with the desired update_types to your config file.

If you change your mind, just re-open this PR and I'll resolve any conflicts on it.

jan-janssen commented 2 months ago
======================================================================
ERROR: test_args_raised (atomic.structure.test_pyxtal.TestPyxtal)
pyxtal should raise appropriate errors when called with wrong arguments
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/tests/atomic/structure/test_pyxtal.py", line 12, in test_args_raised
    pyxtal(1, species=['Fe'], num_ions=[1,2])
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/pyiron_atomistics/atomistics/structure/pyxtal.py", line 65, in pyxtal
    ret = _pyxtal(
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/site-packages/structuretoolkit/build/random.py", line 56, in pyxtal
    from pyxtal import pyxtal as _pyxtal
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/site-packages/pyxtal/__init__.py", line 13, in <module>
    from pymatgen.core.structure import Structure, Molecule
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/site-packages/pymatgen/core/__init__.py", line 12, in <module>
    from pymatgen.core.composition import Composition
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/site-packages/pymatgen/core/composition.py", line 22, in <module>
    from pymatgen.core.periodic_table import DummySpecies, Element, ElementType, Species, get_el_sp
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/site-packages/pymatgen/core/periodic_table.py", line 39, in <module>
    class ElementBase(Enum):
  File "/usr/share/miniconda3/envs/my-env/lib/python3.9/site-packages/pymatgen/core/periodic_table.py", line 700, in ElementBase
    @deprecated(
TypeError: deprecated() got an unexpected keyword argument 'deadline'