fix deprecation is ast module

openmmtools/multistate/multistatereporter.py

@@ -48,6 +48,12 @@
 except ImportError:  # OpenMM < 7.6
     from simtk import unit
 
+
+try:
+    from yaml import CLoader as Loader, CDumper as Dumper
+except ImportError:
+    from yaml import Loader, Dumper
+
 import openmmtools
 from openmmtools.utils import deserialize, with_timer, serialize, quantity_from_string
 from openmmtools import states
@@ -1882,7 +1888,7 @@ def _write_dict(self, path, data, storage_name='analysis',
 # MODULE INTERNAL USAGE UTILITIES
 # ==============================================================================
 
-class _DictYamlLoader(yaml.CLoader):
+class _DictYamlLoader(yaml.Loader):
     """PyYAML Loader that reads !Quantity tags."""
     def __init__(self, *args, **kwargs):
         super(_DictYamlLoader, self).__init__(*args, **kwargs)
@@ -1908,7 +1914,7 @@ def ndarray_constructor(loader, node):
         return data
 
 
-class _DictYamlDumper(yaml.CDumper):
+class _DictYamlDumper(yaml.Dumper):
     """PyYAML Dumper that handle openmm Quantities through !Quantity tags."""
 
     def __init__(self, *args, **kwargs):

openmmtools/utils/utils.py

@@ -291,8 +291,8 @@ def math_eval(expression, variables=None, functions=None):
     functions = extra_functions
 
     def _math_eval(node):
-        if isinstance(node, ast.Num):
-            return node.n
+        if isinstance(node, ast.Constant):
+            return node.value
         elif isinstance(node, ast.UnaryOp):
             return operators[type(node.op)](_math_eval(node.operand))
         elif isinstance(node, ast.BinOp):

readthedocs.yml

@@ -1,13 +1,19 @@
 version: 2
 
-conda:
-  environment: devtools/conda-envs/test_env.yaml
-
 build:
-  os: ubuntu-22.04
+  os: "ubuntu-24.04"
   tools:
-    python: mambaforge-4.10
+    python: "miniconda3-3.12-24.9"
 
 sphinx:
    configuration: docs/conf.py
    fail_on_warning: false
+
+conda:
+  environment: devtools/conda-envs/test_env.yaml
+
+python:
+  # Install our python package before building the docs
+  install:
+    - method: pip
+      path: .