Revert, update config

openforcefield · Sep 10, 2024 · 7b82529 · 7b82529
1 parent 493eabe
commit 7b82529
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Showing 4 changed files with 8 additions and 21 deletions.
diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
@@ -137,7 +137,7 @@ jobs:
       - name: Run mypy
         # subtle differences in Python/mypy versions, just keep it passing on one
         if: ${{ matrix.rdkit == true && matrix.openeye && matrix.python-version == 3.10 }}
-        run: mypy -p "openff.toolkit"
+        run: echo yes | mypy --install-types && mypy -p "openff.toolkit"
 
       - name: Run unit tests
         run: |

diff --git a/openff/toolkit/utils/openeye_wrapper.py b/openff/toolkit/utils/openeye_wrapper.py
@@ -13,7 +13,7 @@
 import tempfile
 from collections import defaultdict
 from functools import wraps
-from typing import TYPE_CHECKING, Any, ClassVar, Optional, Union
+from typing import TYPE_CHECKING, Any, Optional, Union
 
 import numpy as np
 from cachetools import LRUCache, cached
@@ -153,7 +153,7 @@ class OpenEyeToolkitWrapper(ToolkitWrapper):
 
     SUPPORTED_CHARGE_METHODS = _supported_charge_methods
 
-    _toolkit_file_read_formats: ClassVar = (
+    _toolkit_file_read_formats = [
         "CAN",
         "CDX",
         "CSV",
@@ -176,8 +176,8 @@ class OpenEyeToolkitWrapper(ToolkitWrapper):
         "SMI",
         "USM",
         "XYC",
-    )
-    _toolkit_file_write_formats: ClassVar = (
+    ]
+    _toolkit_file_write_formats = [
         "CAN",
         "CDX",
         "CSV",
@@ -200,7 +200,7 @@ class OpenEyeToolkitWrapper(ToolkitWrapper):
         "SMI",
         "USM",
         "XYC",
-    )
+    ]
 
     def __init__(self):
         # check if the toolkit can be loaded

diff --git a/openff/toolkit/utils/rdkit_wrapper.py b/openff/toolkit/utils/rdkit_wrapper.py
@@ -85,8 +85,8 @@ class RDKitToolkitWrapper(base_wrapper.ToolkitWrapper):
     SUPPORTED_CHARGE_METHODS: set[str] = set(_supported_charge_methods.keys())
 
     # TODO: Add TDT support
-    _toolkit_file_read_formats = ("SDF", "MOL", "SMI")
-    _toolkit_file_write_formats = ("SDF", "MOL", "SMI", "PDB", "TDT")
+    _toolkit_file_read_formats = ["SDF", "MOL", "SMI"]
+    _toolkit_file_write_formats = ["SDF", "MOL", "SMI", "PDB", "TDT"]
 
     def __init__(self):
         super().__init__()

diff --git a/setup.cfg b/setup.cfg
@@ -21,19 +21,6 @@ exclude_lines =
     if TYPE_CHECKING:
     @overload
 
-[flake8]
-max-line-length = 119
-ignore = E203,W605,W503,E704
-exclude =
-    openff/toolkit/_tests/_stale_tests.py
-per-file-ignores =
-    openff/toolkit/*/__init__.py:F401
-    openff/toolkit/utils/ambertools_wrapper.py:W293
-    openff/toolkit/_tests/test_molecule.py
-    openff/toolkit/_tests/test_forcefield.py:E501
-    openff/toolkit/_tests/test_toolkits.py:E501
-    openff/toolkit/topology/molecule.py:E704
-
 [versioneer]
 # Automatic version numbering scheme
 VCS = git