Conda dependency problem

[joh666]

environment.yml should be updated because the version of numba in the conda-forge channel does not support the latest numpy (it requires numpy <=2.2). I encountered this dependency issue when using the code.

[bbye98]

I'm aware of this issue. I strongly believe that this should be resolved by Numba specifying tighter version bounds for NumPy in their repository rather than in downstream projects like MDCraft.

In the meantime, I suggest you pin NumPy to 2.2.x in your Conda environment:

echo "numpy==2.2" >> $CONDA_PREFIX/conda-meta/pinned