Fix #4687 -- rdkit values in azure CI

azure-pipelines.yml

@@ -101,7 +101,7 @@ jobs:
     displayName: 'pin to older NumPy (wheel test)'
     condition: and(succeeded(), ne(variables['NUMPY_MIN'], ''))
   - script: >-
-      python -m pip install
+      python -m pip install -vvv
       biopython
       "chemfiles>=0.10,<0.10.4"
       duecredit
@@ -112,8 +112,8 @@ jobs:
       networkx
       parmed
       pytng>=0.2.3
-      tidynamics>=1.0.0
       rdkit>=2020.03.1
+      tidynamics>=1.0.0
     displayName: 'Install additional dependencies for 64-bit tests'
     condition: and(succeeded(), eq(variables['PYTHON_ARCH'], 'x64'))
   - script: >-

package/MDAnalysis/converters/RDKit.py

@@ -87,7 +87,6 @@
 from io import StringIO
 
 import numpy as np
-from numpy.lib import NumpyVersion
 
 from . import base
 from ..coordinates import memory
@@ -96,13 +95,8 @@
 from ..exceptions import NoDataError
 
 try:
-    # TODO: remove this guard when RDKit has a release
-    # that supports NumPy 2
-    if NumpyVersion(np.__version__) < "2.0.0":
-        from rdkit import Chem
-        from rdkit.Chem import AllChem
-    else:
-        raise ImportError
+    from rdkit import Chem
+    from rdkit.Chem import AllChem
 except ImportError:
     pass
 else:

testsuite/MDAnalysisTests/util.py

@@ -117,7 +117,7 @@ def import_not_available(module_name):
     # TODO: remove once these packages have a release
     # with NumPy 2 support
     if NumpyVersion(np.__version__) >= "2.0.0":
-        if module_name in {"rdkit", "parmed"}:
+        if module_name == "parmed":
             return True
     try:
         test = importlib.import_module(module_name)