[Code scan] Align Python 3.12 support with pinned h5py wheels

[njzjz]

This issue comes from a Codex global repository scan.

Problem

The project declares Python 3.12 support:

dftio/pyproject.toml

Line 10 in c9d128f

requires-python = ">=3.9,<3.13"

But h5py is pinned below 3.11 and excludes 3.10:

dftio/pyproject.toml

Line 21 in c9d128f

"h5py>=3.7.0,<3.11.0,!=3.10.0",

On a Python 3.12 environment, uv sync selected h5py==3.9.0 and attempted a source build, which failed without system HDF5/pkg-config. This makes the advertised Python 3.12 installation path fragile, especially for users following the README or install.sh with their current Python.

The install script uses the current Python interpreter:

dftio/install.sh

Lines 47 to 50 in c9d128f

	# Sync dependencies with the specified find-links
	echo "Installing dftio with torch_scatter ($VARIANT version)..."
	echo "Using Python: $(which python)"
	uv sync --python $(which python) --find-links "$FIND_LINKS_URL"

Suggested fix

Either restrict requires-python to versions with available pinned binary wheels, or loosen/adjust the h5py constraint so Python 3.12 can install from wheels. The install docs/script should also make the expected Python version explicit.