YAFF installation fails on Python 3.13

[kGorze]

YAFF installation fails on Python 3.13

Description

Trying to install YAFF for molecular dynamics simulations on Python 3.13, but the build fails during NumPy dependency installation.

Steps to reproduce

1. Create new Python 3.13 virtual environment
2. Run pip install yaff
3. Build fails with NumPy-related error

Error log

File "C:\Users\konrad_guest\AppData\Local\Programs\Python\Python313\Lib\site-packages\Cython\Build\Dependencies.py", line 1154, in cythonize
    cythonize_one(*args)
File "C:\Users\konrad_guest\AppData\Local\Programs\Python\Python313\Lib\site-packages\Cython\Build\Dependencies.py", line 1321, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: yaff/pes/ext.pyx

note: This error originates from a subprocess, and is likely not a problem with pip.
ERROR: Failed building wheel for yaff
Running setup.py clean for yaff
Building wheel for molmod (setup.py) ... error
error: subprocess-exited-with-error

× python setup.py bdist_wheel did not run successfully.
  exit code: 1
  
fatal: not a git repository (or any of the parent directories): .git
Trying to get the version from {} C:\Users\konrad_guest\AppData\Local\Temp\pip-install-8pjbb56t\molmod_6c38c361c01b4b33b85fca1e0b2bc0e1\molmod\version.py
Version according to C:\Users\konrad_guest\AppData\Local\Temp\pip-install-8pjbb56t\molmod_6c38c361c01b4b33b85fca1e0b2bc0e1\molmod\version.py: 1.4.8

ERROR: Failed building wheel for molmod
ERROR: Failed to build installable wheels for some pyproject.toml based projects (yaff, molmod)

Environment

• Python 3.13
• Windows 10
• pip installation

Expected behavior

YAFF should install successfully to allow for force field calculations in molecular dynamics simulations.

Possible fix

Consider adding pre-built wheels for Python 3.13 or updating the build dependencies.