fix: use np.trapezoid for forward-compat with NumPy 2.0+ (#1) - #4
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np.trapz was renamed to np.trapezoid in NumPy 2.0 and the old alias emits DeprecationWarning in 2.1+. The SURF environment ships NumPy 2.x, so this would have started warning on every analysis run and would hard-fail once the alias is removed. Use np.trapezoid via getattr fallback so the script still works under NumPy 1.x environments. Fixes #1
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Summary
Fixes #1 — `np.trapz` was deprecated in NumPy 2.0 and emits a `DeprecationWarning` in 2.1+; once the alias is removed entirely, `coordination_number()` will hard-fail. This PR switches the integration call to `np.trapezoid` via a `getattr` fallback so the script also still works on NumPy 1.x environments.
Testing
Round-tripped `getattr(np, 'trapezoid', np.trapz)([0,1,4,9],[0,1,2,3])` → `9.5` against the new attribute.
Before / after
Before (`analysis/scripts/analyze_hydration.py`):
```python
import numpy as np
import MDAnalysis as mda
from MDAnalysis.analysis import rdf as mda_rdf
...
n_coord = 4.0 * np.pi * rho_b * np.trapz(integrand, r[mask])
```
After:
```python
import numpy as np
import MDAnalysis as mda
from MDAnalysis.analysis import rdf as mda_rdf
np.trapz was deprecated in NumPy 2.0 in favour of np.trapezoid; fall
back to the old name for environments still on NumPy 1.x.
_trapezoid = getattr(np, "trapezoid", np.trapz)
...
n_coord = 4.0 * np.pi * rho_b * _trapezoid(integrand, r[mask])
```