From 8ba98d93bb19f756275b8afef02d77af066e0ced Mon Sep 17 00:00:00 2001
From: Lauri Himanen <lauri.himanen@gmail.com>
Date: Fri, 15 Aug 2025 14:29:47 +0300
Subject: [PATCH 1/2] Updated tests and version.

---
 .github/workflows/test.yml | 2 +-
 pyproject.toml             | 7 ++++---
 2 files changed, 5 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 354f7974..da7999ad 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -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
diff --git a/pyproject.toml b/pyproject.toml
index 34356f9f..d79e3399 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -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",
@@ -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']
 

From a7bd6d92bbbe0271eddfb3aa655d4b5dda968df1 Mon Sep 17 00:00:00 2001
From: Ahmed Ilyas <ahmed.n.ilyas@gmail.com>
Date: Fri, 15 Aug 2025 13:30:39 +0200
Subject: [PATCH 2/2] Build py3.13 and 3.14 wheels (#34)

* Update wheels.yml

* Update pyproject.toml

* Update geometry.py

* Update wheels.yml
---
 .github/workflows/wheels.yml | 8 ++++----
 matid/geometry/geometry.py   | 2 +-
 pyproject.toml               | 2 ++
 3 files changed, 7 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml
index feeb93b1..bb6a8975 100644
--- a/.github/workflows/wheels.yml
+++ b/.github/workflows/wheels.yml
@@ -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
\ No newline at end of file
+          path: ./wheelhouse/*.whl
diff --git a/matid/geometry/geometry.py b/matid/geometry/geometry.py
index 6aec8165..5311f9f1 100644
--- a/matid/geometry/geometry.py
+++ b/matid/geometry/geometry.py
@@ -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))
                 ]
             )
diff --git a/pyproject.toml b/pyproject.toml
index d79e3399..9b9f21c3 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -79,6 +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"]