unpin numpy, use ruff rule for updating

Author: lukaspie

pyproject.toml

@@ -27,7 +27,7 @@ dependencies = [
     "h5py>=3.6.0",
     "xarray>=0.20.2",
     "PyYAML>=6.0",
-    'numpy>=1.22.4,<2.0.0',
+    'numpy',
     "pandas>=1.3.2",
     "ase>=3.19.0",
     "mergedeep",
@@ -138,7 +138,7 @@ select = [
     "UP", # pyupgrade
     # "F401", # remove unused import
     "I001", # sort imports
-    # "NPY201", # reactivate when np>2.0 is used
+    "NPY201", # upgrade to numpy>2
 ]
 ignore = [
     "E402", # Module level import not at top of file