0.10.7 releasenotes (#1562)

* 0.10.7 releasenotes * fix failing tests * add upcoming-deprecation warning to releasehistory
openforcefield · Mar 16, 2023 · 274a115 · 274a115
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diff --git a/docs/releasehistory.md b/docs/releasehistory.md
@@ -6,8 +6,17 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
 * `minor` increments add features but do not break API compatibility
 * `micro` increments represent bugfix releases or improvements in documentation
 
-## Current development
+## 0.10.7 Bugfix release
 
+Please be aware that the 5-month deprecation window for the 0.10 line of the OpenFF Toolkit will begin soon,
+as the upcoming Interchange 0.3.0 will offer replacements for smirnoff plugins and GBSA support. If you haven't 
+already, please begin updating your code to use OpenFF Toolkit >=0.11, as we will no longer offer even critical
+bugfixes to the 0.10 line after this deprecation period. 
+
+- [PR #1470](https://github.com/openforcefield/openff-toolkit/pull/1470): Fixes 
+  [Issue #1422](https://github.com/openforcefield/openff-toolkit/issues/1422), an 
+  error that occurs when a `VirtualSiteHandler` is present in a `ForceField`, and 
+  `label_molecules` is called.
 - [PR #1313](https://github.com/openforcefield/openff-toolkit/pull/1313): Fixes 
   [Issue #1287](https://github.com/openforcefield/openff-toolkit/issues/1287), where  
   `OpenEyeToolkitWrapper.assign_partial_charges` didn't request symmetrized charges when

diff --git a/openff/toolkit/tests/test_forcefield.py b/openff/toolkit/tests/test_forcefield.py
@@ -935,6 +935,10 @@ def test_do_not_load_in_child_dir(self, tmp_path):
     @pytest.mark.parametrize("force_field_file", [*get_available_force_fields()])
     def test_get_available_force_fields_loadable(self, full_path, force_field_file):
         """Ensure get_available_force_fields returns load-able files"""
+        # The TIP3P FFs were written using the 0.4 SMIRNOFF spec, so skip those.
+        if 'tip3p' in force_field_file:
+            pytest.skip("The TIP3P FFs use the 0.4 SMIRNOFF spec, "
+                        "which isn't supported in the 0.10 OFFTK line")
         ForceField(force_field_file)
 
     def test_create_forcefield_no_args(self):

diff --git a/openff/toolkit/tests/test_molecule.py b/openff/toolkit/tests/test_molecule.py
@@ -2509,22 +2509,6 @@ def test_add_conformers(self):
         molecule.add_conformer(conf2)
         assert molecule.n_conformers == 2
 
-        # Add conformers with too few coordinates
-        conf_missing_z = unit.Quantity(
-            np.array(
-                [
-                    [101.0, 102.0, 103.0],
-                    [104.0, 105.0, 106.0],
-                    [107.0, 108.0, 109.0],
-                    [110.0, 111.0, 112.0],
-                    [113.0, 114.0],
-                ]
-            ),
-            unit.angstrom,
-        )
-        with pytest.raises(Exception) as excinfo:
-            molecule.add_conformer(conf_missing_z)
-
         conf_too_few_atoms = unit.Quantity(
             np.array(
                 [