Update numpy to 2.5.1 by jan-janssen · Pull Request #529 · pyiron/structuretoolkit

jan-janssen · 2026-07-16T07:31:17Z

Summary by CodeRabbit

New Features
- Added support for Python 3.14.
Compatibility
- Updated the supported numerical computing stack.
- Added sparse-array functionality to standard development and notebook environments.
Bug Fixes
- Updated neighborhood-distance warning handling to reflect current behavior and improve test accuracy.

coderabbitai · 2026-07-16T07:31:26Z

📝 Walkthrough

Walkthrough

The project updates NumPy pins to 2.5.1, adds sparse 0.19.0 to environment configurations, declares Python 3.14 support, and revises neighbor warning-count assertions.

Changes

Dependency and neighbor test updates

Layer / File(s)	Summary
Dependency and Python support updates `.ci_support/environment-docs.yml`, `.ci_support/environment-mini.yml`, `.ci_support/environment.yml`, `binder/environment.yml`, `pyproject.toml`	NumPy is pinned to 2.5.1, sparse 0.19.0 is added to environment definitions, and Python 3.14 is added to project classifiers.
Neighbor warning-count expectations `tests/test_neighbors.py`	The test expects two warnings after neighborhood creation and four after accessing `.distances`.

Estimated code review effort: 2 (Simple) | ~10 minutes

Possibly related PRs

pyiron/structuretoolkit#392: Updates NumPy dependency declarations in overlapping project configuration files.
pyiron/structuretoolkit#422: Modifies the same NumPy pins in CI and project metadata.
pyiron/structuretoolkit#438: Updates dependency pins involving NumPy and sparse.

🚥 Pre-merge checks | ✅ 4 | ❌ 1

❌ Failed checks (1 warning)

Check name	Status	Explanation	Resolution
Docstring Coverage	⚠️ Warning	Docstring coverage is 0.00% which is insufficient. The required threshold is 80.00%.	Write docstrings for the functions missing them to satisfy the coverage threshold.

✅ Passed checks (4 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title check	✅ Passed	The title clearly reflects the main change: bumping NumPy to 2.5.1.
Linked Issues check	✅ Passed	Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check	✅ Passed	Check skipped because no linked issues were found for this pull request.

✨ Finishing Touches

📝 Generate docstrings

Create stacked PR
Commit on current branch

🧪 Generate unit tests (beta)

Create PR with unit tests
Commit unit tests in branch numpy2

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jan-janssen · 2026-07-16T08:01:29Z

======================================================================
ERROR: test_soap_descriptor_per_atom (test_dscribe.Testdscribe.test_soap_descriptor_per_atom)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/structuretoolkit/structuretoolkit/tests/test_dscribe.py", line 26, in test_soap_descriptor_per_atom
    soap = stk.analyse.soap_descriptor_per_atom(
        structure=structure, r_cut=6.0, n_max=8, l_max=6
    )
  File "/home/runner/miniconda3/envs/test/lib/python3.14/site-packages/structuretoolkit/analyse/dscribe.py", line 49, in soap_descriptor_per_atom
    from dscribe.descriptors import SOAP
  File "/home/runner/miniconda3/envs/test/lib/python3.14/site-packages/dscribe/descriptors/__init__.py", line 17, in <module>
    from dscribe.descriptors.acsf import ACSF
  File "/home/runner/miniconda3/envs/test/lib/python3.14/site-packages/dscribe/descriptors/acsf.py", line 20, in <module>
    from dscribe.descriptors.descriptorlocal import DescriptorLocal
  File "/home/runner/miniconda3/envs/test/lib/python3.14/site-packages/dscribe/descriptors/descriptorlocal.py", line 17, in <module>
    from dscribe.descriptors.descriptor import Descriptor
  File "/home/runner/miniconda3/envs/test/lib/python3.14/site-packages/dscribe/descriptors/descriptor.py", line 21, in <module>
    import sparse as sp
  File "/home/runner/miniconda3/envs/test/lib/python3.14/site-packages/sparse/__init__.py", line 1, in <module>
    from .coo import COO, elemwise, tensordot, concatenate, stack, dot, triu, tril, where, \
        nansum, nanprod, nanmin, nanmax
  File "/home/runner/miniconda3/envs/test/lib/python3.14/site-packages/sparse/coo.py", line 4, in <module>
    from collections import Iterable, defaultdict, deque
ImportError: cannot import name 'Iterable' from 'collections' (/home/runner/miniconda3/envs/test/lib/python3.14/collections/__init__.py)

jan-janssen · 2026-07-16T08:08:54Z

      The following packages are incompatible
      ├─ numpy =2.5.1 * is installable with the potential options
      │  ├─ numpy 2.5.1 would require
      │  │  └─ python_abi =3.12 *_cp312, which can be installed;
      │  ├─ numpy 2.5.1 would require
      │  │  └─ python_abi =3.13 *_cp313, which can be installed;
      │  ├─ numpy 2.5.1 would require
      │  │  └─ python_abi =3.14 *_cp314, which requires
      │  │     └─ python =3.14 *_cp314, which can be installed;
      │  └─ numpy 2.5.1 would require
      │     └─ python_abi =3.14 *_cp314t, which can be installed;
      └─ sparse =0.19.0 * is not installable because it requires
         └─ numba >=0.49 * but there are no viable options
            ├─ numba [0.56.2|0.56.3|0.56.4] would require
            │  ├─ numpy >=1.18,(!=1.22.0,(!=1.22.1,(!=1.22.2,<1.24))) *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.10 *_cp310, which can be installed;
            ├─ numba [0.56.2|0.56.3|0.56.4] would require
            │  ├─ numpy >=1.18,(!=1.22.0,(!=1.22.1,(!=1.22.2,<1.24))) *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba [0.56.2|0.56.3|0.56.4] would require
            │  ├─ numpy >=1.18,(!=1.22.0,(!=1.22.1,(!=1.22.2,<1.24))) *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.9 *_cp39, which can be installed;
            ├─ numba [0.57.0|0.57.1] would require
            │  ├─ numpy >=1.21,(!=1.22.0,(!=1.22.1,(!=1.22.2,<1.25))) *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.10 *_cp310, which can be installed;
            ├─ numba [0.57.0|0.57.1] would require
            │  ├─ numpy >=1.21,(!=1.22.0,(!=1.22.1,(!=1.22.2,<1.25))) *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.11 *_cp311, which can be installed;
            ├─ numba [0.57.0|0.57.1] would require
            │  ├─ numpy >=1.21,(!=1.22.0,(!=1.22.1,(!=1.22.2,<1.25))) *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba [0.57.0|0.57.1] would require
            │  ├─ numpy >=1.21,(!=1.22.0,(!=1.22.1,(!=1.22.2,<1.25))) *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.9 *_cp39, which can be installed;
            ├─ numba [0.58.1|0.59.0|0.59.1] would require
            │  ├─ numpy >=1.22.3,<1.27 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.10 *_cp310, which can be installed;
            ├─ numba [0.58.1|0.59.0|0.59.1] would require
            │  ├─ numpy >=1.22.3,<1.27 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.11 *_cp311, which can be installed;
            ├─ numba 0.58.1 would require
            │  ├─ numpy >=1.22.3,<1.27 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba [0.58.1|0.59.0|0.59.1] would require
            │  ├─ numpy >=1.22.3,<1.27 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.9 *_cp39, which can be installed;
            ├─ numba [0.59.0|0.59.1] would require
            │  ├─ numpy >=1.22.3,<1.27 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.12 *_cp312, which can be installed;
            ├─ numba 0.60.0 would require
            │  ├─ numpy >=1.22.3,<2.1 * but there are no viable options
            │  │  ├─ numpy [1.22.3|1.22.4|...|2.2.6] would require
            │  │  │  └─ python_abi =3.10 *_cp310, which can be installed;
            │  │  ├─ numpy [1.23.4|1.23.5|...|2.4.6] would require
            │  │  │  └─ python_abi =3.11 *_cp311, which can be installed;
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.24.4] would require
            │  │  │  └─ python_abi =3.8 *_cp38, which can be installed;
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.24.4] would require
            │  │  │  └─ python_abi ==3.8 *_pypy38_pp73, which can be installed;
            │  │  ├─ numpy [1.22.3|1.22.4|...|2.0.2] would require
            │  │  │  └─ python_abi =3.9 *_cp39, which can be installed;
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.26.4] would require
            │  │  │  └─ python_abi ==3.9 *_pypy39_pp73, which can be installed;
            │  │  └─ numpy [1.26.0|1.26.2|...|2.4.6] would require
            │  │     └─ python_abi =3.12 *_cp312, which can be installed;
            │  └─ python_abi [=3.10 *_cp310|=3.11 *_cp311|=3.12 *_cp312|=3.9 *_cp39], which can be installed;
            ├─ numba [0.61.0|0.61.2] would require
            │  ├─ numpy [>=1.24,<2.2 *|>=1.24,<2.3 *|>=1.24,<2.3.0a0 *] but there are no viable options
            │  │  ├─ numpy [1.22.3|1.22.4|...|2.2.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.23.4|1.23.5|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.24.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.24.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|2.0.2], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.26.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.26.0|1.26.2|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [2.1.0|2.1.1|...|2.4.6] would require
            │  │  │  └─ python_abi =3.13 *_cp313, which can be installed;
            │  │  └─ numpy [2.1.2|2.1.3|...|2.4.2] would require
            │  │     └─ python_abi =3.13 *_cp313t, which can be installed;
            │  └─ python_abi [=3.10 *_cp310|=3.11 *_cp311|=3.12 *_cp312|=3.13 *_cp313], which can be installed;
            ├─ numba [0.62.0|0.62.1|0.63.0|0.63.1] would require
            │  ├─ numpy [>=1.22.3,<2.4 *|>=1.24,<2.4 *] but there are no viable options
            │  │  ├─ numpy [1.22.3|1.22.4|...|2.2.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.23.4|1.23.5|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.24.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.24.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|2.0.2], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.26.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.26.0|1.26.2|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [2.1.0|2.1.1|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [2.1.2|2.1.3|...|2.4.2], which cannot be installed (as previously explained);
            │  │  ├─ numpy [2.3.2|2.3.3|...|2.4.6] would require
            │  │  │  └─ python_abi =3.14 *_cp314t, which can be installed;
            │  │  └─ numpy [2.3.2|2.3.3|...|2.4.6] would require
            │  │     └─ python_abi =3.14 *_cp314, which cannot be installed (as previously explained);
            │  └─ python_abi [=3.10 *_cp310|=3.11 *_cp311|=3.12 *_cp312|=3.13 *_cp313|=3.14 *_cp314] with the potential options
            │     ├─ python_abi 3.14, which cannot be installed (as previously explained);
            │     ├─ python_abi 3.10, which can be installed;
            │     ├─ python_abi 3.11, which can be installed;
            │     ├─ python_abi 3.12, which can be installed;
            │     └─ python_abi 3.13, which can be installed;
            ├─ numba [0.64.0|0.65.0|0.65.1] would require
            │  ├─ numpy >=1.22.3,<2.5 * but there are no viable options
            │  │  ├─ numpy [1.22.3|1.22.4|...|2.2.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.23.4|1.23.5|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.24.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.24.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|2.0.2], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.22.3|1.22.4|...|1.26.4], which cannot be installed (as previously explained);
            │  │  ├─ numpy [1.26.0|1.26.2|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [2.1.0|2.1.1|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [2.1.2|2.1.3|...|2.4.2], which cannot be installed (as previously explained);
            │  │  ├─ numpy [2.3.2|2.3.3|...|2.4.6], which cannot be installed (as previously explained);
            │  │  ├─ numpy [2.3.2|2.3.3|...|2.4.6], which cannot be installed (as previously explained);
            │  │  └─ numpy 2.5.0rc1 would require
            │  │     └─ _numpy_rc =* *, which does not exist (perhaps a missing channel);
            │  └─ python_abi [=3.10 *_cp310|=3.11 *_cp311|...|=3.14 *_cp314t] with the potential options
            │     ├─ python_abi 3.14, which cannot be installed (as previously explained);
            │     ├─ python_abi 3.10, which can be installed;
            │     ├─ python_abi 3.11, which can be installed;
            │     ├─ python_abi 3.12, which can be installed;
            │     ├─ python_abi 3.13, which can be installed;
            │     └─ python_abi 3.14, which can be installed;
            ├─ numba [0.49.0|0.49.1] would require
            │  ├─ numpy >=1.14.6,<1.18.0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.6 *_cp36m, which can be installed;
            ├─ numba [0.49.0|0.49.1] would require
            │  ├─ numpy >=1.14.6,<1.18.0 *, which conflicts with any installable versions previously reported;
            │  └─ python >=3.7,<3.8.0a0 *, which conflicts with any installable versions previously reported;
            ├─ numba [0.49.0|0.49.1] would require
            │  ├─ numpy >=1.14.6,<1.18.0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba 0.50.1 would require
            │  ├─ numpy >=1.14.6,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.6 *_cp36m, which can be installed;
            ├─ numba 0.50.1 would require
            │  ├─ numpy >=1.14.6,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python >=3.7,<3.8.0a0 *, which conflicts with any installable versions previously reported;
            ├─ numba 0.50.1 would require
            │  ├─ numpy >=1.14.6,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba [0.51.0|0.51.1|0.51.2|0.52.0] would require
            │  ├─ numpy >=1.16.5,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.6 *_cp36m, which can be installed;
            ├─ numba [0.51.0|0.51.1|0.51.2|0.52.0] would require
            │  ├─ numpy >=1.16.5,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python >=3.7,<3.8.0a0 *, which conflicts with any installable versions previously reported;
            ├─ numba [0.51.0|0.51.1|0.51.2|0.52.0] would require
            │  ├─ numpy >=1.16.5,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba 0.53.0 would require
            │  ├─ numpy >=1.16.6,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.6 *_cp36m, which can be installed;
            ├─ numba 0.53.0 would require
            │  ├─ numpy >=1.16.6,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python >=3.7,<3.8.0a0 *, which conflicts with any installable versions previously reported;
            ├─ numba 0.53.0 would require
            │  ├─ numpy >=1.16.6,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba [0.53.0|0.53.1] would require
            │  ├─ numpy >=1.19.5,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.9 *_cp39, which can be installed;
            ├─ numba 0.53.1 would require
            │  ├─ numpy >=1.17.5,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.6 *_cp36m, which can be installed;
            ├─ numba 0.53.1 would require
            │  ├─ numpy >=1.17.5,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python >=3.7,<3.8.0a0 *, which conflicts with any installable versions previously reported;
            ├─ numba 0.53.1 would require
            │  ├─ numpy >=1.17.5,<1.21.0a0 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba [0.54.0|0.54.1] would require
            │  ├─ numpy >=1.17,<1.21 *, which conflicts with any installable versions previously reported;
            │  └─ python >=3.7,<3.8.0a0 *, which conflicts with any installable versions previously reported;
            ├─ numba [0.54.0|0.54.1] would require
            │  ├─ numpy >=1.17,<1.21 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba [0.54.0|0.54.1] would require
            │  ├─ numpy >=1.17,<1.21 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.9 *_cp39, which can be installed;
            ├─ numba [0.55.0|0.55.1] would require
            │  ├─ numpy >=1.18,<1.22 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.10 *_cp310, which can be installed;
            ├─ numba [0.55.0|0.55.1] would require
            │  ├─ numpy >=1.18,<1.22 *, which conflicts with any installable versions previously reported;
            │  └─ python >=3.7,<3.8.0a0 *, which conflicts with any installable versions previously reported;
            ├─ numba [0.55.0|0.55.1] would require
            │  ├─ numpy >=1.18,<1.22 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba [0.55.0|0.55.1] would require
            │  ├─ numpy >=1.18,<1.22 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.9 *_cp39, which can be installed;
            ├─ numba 0.55.2 would require
            │  ├─ numpy >=1.18,<1.23 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.10 *_cp310, which can be installed;
            ├─ numba 0.55.2 would require
            │  ├─ numpy >=1.18,<1.23 *, which conflicts with any installable versions previously reported;
            │  └─ python >=3.7,<3.8.0a0 *, which conflicts with any installable versions previously reported;
            ├─ numba 0.55.2 would require
            │  ├─ numpy >=1.18,<1.23 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.8 *_cp38, which can be installed;
            ├─ numba 0.55.2 would require
            │  ├─ numpy >=1.18,<1.23 *, which conflicts with any installable versions previously reported;
            │  └─ python_abi =3.9 *_cp39, which can be installed;
            └─ numba [0.56.2|0.56.3] would require
               ├─ numpy >=1.18,(!=1.22.0,(!=1.22.1,(!=1.22.2,<1.24))) *, which conflicts with any installable versions previously reported;

jan-janssen · 2026-07-22T07:12:11Z

Even the latest numba still requires numpy < 2.5:

           ├─ numba [0.64.0|0.65.0|0.65.1|0.66.0] would require
            │  └─ numpy >=1.22.3,<2.5 * with the potential options
            │     ├─ numpy [1.22.3|1.22.4|...|1.23.5] conflicts with any installable versions previously reported;
            │     ├─ numpy [1.24.0|1.24.1|...|2.0.2] conflicts with any installable versions previously reported;
            │     ├─ numpy [2.1.0|2.1.1|2.1.2|2.1.3] conflicts with any installable versions previously reported;
            │     ├─ numpy [2.2.0|2.2.1|...|2.2.6] conflicts with any installable versions previously reported;
            │     ├─ numpy [2.3.0|2.3.1|...|2.3.5] conflicts with any installable versions previously reported;
            │     ├─ numpy [2.3.2|2.3.3|...|2.5.1], which can be installed (as previously explained);
            │     ├─ numpy [2.4.0|2.4.1|...|2.4.6] conflicts with any installable versions previously reported;
            │     └─ numpy 2.5.0rc1 would require
            │        └─ _numpy_rc =* *, which does not exist (perhaps a missing channel);

coderabbitai

🧹 Nitpick comments (1)

tests/test_neighbors.py (1)
504-505: 📐 Maintainability & Code Quality | 🔵 Trivial | ⚡ Quick win

Assert warning causes per operation, not a cumulative count.

Because w is shared, len(w) == 4 only checks the total from both calls and can pass even if .distances emits a different number of warnings. The random position also makes exact counts geometry-sensitive. Capture each operation separately and assert the expected warning messages.
🤖 Prompt for AI Agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

In `@tests/test_neighbors.py` around lines 504 - 505, Update the test around the
two get_neighborhood calls to capture warnings separately for each operation
instead of using the shared w list. Assert each call’s expected warning messages
and counts independently, while replacing the random position with a
deterministic input so the assertions are not geometry-sensitive.

🤖 Prompt for all review comments with AI agents

Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Nitpick comments:
In `@tests/test_neighbors.py`:
- Around line 504-505: Update the test around the two get_neighborhood calls to
capture warnings separately for each operation instead of using the shared w
list. Assert each call’s expected warning messages and counts independently,
while replacing the random position with a deterministic input so the assertions
are not geometry-sensitive.

ℹ️ Review info

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Review profile: CHILL

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Run ID: 4aa77766-b22b-47cd-9b25-ef19d14afdd6

📥 Commits

Reviewing files that changed from the base of the PR and between d969ec6 and 21473b6.

📒 Files selected for processing (6)

.ci_support/environment-docs.yml
.ci_support/environment-mini.yml
.ci_support/environment.yml
binder/environment.yml
pyproject.toml
tests/test_neighbors.py

Update numpy to 2.5.1

832d72e

jan-janssen and others added 5 commits July 16, 2026 09:37

Update python version

fc67526

Merge branch 'main' into numpy2

9d0ec01

Add support for Python 3.14 in pyproject.toml

4c737aa

fix test

b4e95d6

more fixes

ba5aa44

Fix sparse version

03b2f98

jan-janssen marked this pull request as draft July 16, 2026 08:09

This was referenced Jul 16, 2026

Update numpy to 2.5.1 pyiron/lammpsparser#373

Draft

Update scipy to 1.18.0 pyiron/lammpsparser#374

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Merge branch 'main' into numpy2

21473b6

jan-janssen marked this pull request as ready for review July 22, 2026 07:07

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Update numpy to 2.5.1#529

Update numpy to 2.5.1#529
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