diff --git a/docs/releasehistory.md b/docs/releasehistory.md index 93c201b0c..831f20821 100644 --- 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 index 5fb2eb00c..ab118215f 100644 --- 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 index d7f86d7bd..36a79a0ce 100644 --- 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( [