Merge pull request #187 from openforcefield/v2-api

Use Pydantic V2 API
openforcefield · Nov 23, 2024 · 22a065e · 22a065e
2 parents b369f9c + 7a5f251
commit 22a065e
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Showing 3 changed files with 5 additions and 11 deletions.
diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml
@@ -17,19 +17,14 @@ defaults:
 jobs:
   test:
 
-    name: ${{ matrix.os }} python=${{ matrix.python-version }} pydantic=${{ matrix.pydantic-version }} OE=${{ matrix.openeye }}
+    name: ${{ matrix.os }} python=${{ matrix.python-version }} OE=${{ matrix.openeye }}
     runs-on: ${{ matrix.os }}
 
     strategy:
-      fail-fast: false
       matrix:
-        os: [ubuntu-latest, macOS-latest]
+        os: [ubuntu-latest, macos-latest]
         python-version: ["3.10", "3.11", "3.12"]
-        pydantic-version: ["1", "2"]
         openeye: [false, true]
-        exclude:
-          - python-version: "3.12"
-            openeye: true
 
     env:
       OE_LICENSE: ${{ github.workspace }}/oe_license.txt
@@ -45,7 +40,6 @@ jobs:
         environment-file: devtools/conda-envs/test_env.yaml
         create-args: >-
           python=${{ matrix.python-version }}
-          pydantic=${{ matrix.pydantic-version }}
 
     - name: Install OpenEye
       if: matrix.openeye

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -5,12 +5,12 @@ channels:
 dependencies:
     # Core
   - python
-  - pydantic >=1.10.17,<3
+  - pydantic =2
   - jinja2
 
     # OpenFF stack
   - openff-toolkit-base >=0.14.4
-  - openff-utilities >=0.1.9
+  - openff-interchange >=0.4
 
     # Optional tools
   - ambertools

diff --git a/openff/fragmenter/fragment.py b/openff/fragmenter/fragment.py
@@ -26,7 +26,7 @@
     ToolkitWrapper,
 )
 from openff.toolkit.utils.exceptions import AtomMappingWarning
-from pydantic.v1 import BaseModel, Field
+from pydantic import BaseModel, Field
 
 logger = logging.getLogger(__name__)