Python 3.13 support

[tylerjereddy]

I'm not sure what the plans are for supporting Python 3.13, but the scientific Python ecosystem continues to march forward with new CPython versions. At the moment, it looks like pyproject.toml in this project points to the unofficial openbabel-wheel binaries on PyPI, and at a version that doesn't support Python 3.13.

I was able to naively install the project with Python 3.13 locally with a small diff (below), although I don't have tests passing yet. Another question that arises is whether this project and the rest of its ecosystem of deps are ready for Python 3.13/NumPy 2.x and os on. It looks like I am seeing issues when I try to run some tests. Before I go much farther with this I want to check--is there interest in supporting Python 3.13/newer Python versions here? Will patches be accepted, etc.?

--- a/pyproject.toml
+++ b/pyproject.toml
@@ -26,7 +26,7 @@ acpype = "acpype.cli:init_main"
 
 [tool.poetry.dependencies]
 python = ">=3.8,<4.0"
-openbabel-wheel = "^3.1.1.19"
+openbabel = ">=3.2.0,<3.3.0"

[tylerjereddy]

(note that the "official" openbabel project recently uploaded binaries to PyPI that support 3.13, though this is also true for the unofficial openbabel-wheel)