Skip to content

V2.1.6 #35

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
lauri-codes merged 2 commits into from
Aug 15, 2025
Merged

V2.1.6 #35

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
8ba98d9
Updated tests and version.
lauri-codes Aug 15, 2025
a7bd6d9
Build py3.13 and 3.14 wheels (#34)
blueraft Aug 15, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 1 addition & 1 deletion .github/workflows/test.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ jobs:
strategy:
fail-fast: false
matrix:
python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
python-version: ["3.9", "3.10", "3.11", "3.12", "3.13"]

steps:
- uses: actions/checkout@v4
Expand Down
8 changes: 4 additions & 4 deletions .github/workflows/wheels.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -14,12 +14,12 @@ jobs:
- uses: actions/checkout@v4

- name: Build wheels
uses: pypa/cibuildwheel@v2.20.0
uses: pypa/cibuildwheel@v3.1.3
env:
# All PyPy builds are currently failing, CPython 3.6 and 3.13 are also failing
CIBW_SKIP: cp36-* cp313* pp*
# All PyPy builds are currently failing, CPython 3.6 and 3.14t is also failing
CIBW_SKIP: cp36-* pp* cp14t*

- uses: actions/upload-artifact@v4
with:
name: cibw-wheels-${{ matrix.os }}-${{ strategy.job-index }}
path: ./wheelhouse/*.whl
path: ./wheelhouse/*.whl
2 changes: 1 addition & 1 deletion matid/geometry/geometry.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -1198,7 +1198,7 @@ def get_radii(radii, atomic_numbers=None) -> np.ndarray:
elif radii == "vdw_covalent":
radii = np.array(
[
vdw_radii[i] if vdw_radii[i] != np.nan else covalent_radii[i]
vdw_radii[i] if not np.isnan(vdw_radii[i]) else covalent_radii[i]
for i in range(len(vdw_radii))
]
)
Expand Down
9 changes: 6 additions & 3 deletions pyproject.toml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,12 +4,12 @@ build-backend = "setuptools.build_meta"

[project]
name = 'matid'
version = '2.1.5'
version = '2.1.6'
description = 'MatID is a Python package for identifying and analyzing atomistic systems based on their structure.'
readme = "README.md"
authors = [{ name = "Lauri Himanen" }]
license = { file = "LICENSE" }
requires-python = ">=3.8"
requires-python = ">=3.9"
dependencies = [
"numpy",
"ase",
Expand All @@ -25,11 +25,12 @@ classifiers = [
"Programming Language :: Python",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3 :: Only",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Programming Language :: Python :: 3.13",
"Programming Language :: Python :: 3.14",
]
keywords = ['atoms', 'structure', 'materials', 'science', 'crystal', 'symmetry']

Expand Down Expand Up @@ -78,6 +79,8 @@ ignore = [
"PLW2901", # redefined-loop-name
"PLR1714", # consider-using-in
"PLR5501", # else-if-used
"PLC0415", # `import` should be at the top-level of a file
"PLW1641", # Object does not implement `__hash__` method
]
fixable = ["ALL"]

Expand Down