Skip to content

Commit

Permalink
0.14.0 releasenotes (#1665)
Browse files Browse the repository at this point in the history
  • Loading branch information
j-wags authored Jun 30, 2023
1 parent 1826de6 commit a5a90ad
Showing 1 changed file with 2 additions and 8 deletions.
10 changes: 2 additions & 8 deletions docs/releasehistory.md
Original file line number Diff line number Diff line change
Expand Up @@ -6,26 +6,20 @@ 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
## 0.14.0

### API-breaking changes

- [PR #1649](https://github.com/openforcefield/openff-toolkit/pull/1649): Removes tests and associated modules from the public API.
- [PR #1508](https://github.com/openforcefield/openff-toolkit/pull/1508): Removes the `return_topology` kwawrg from `ForceField.create_openmm_system` which was [deprecated in version 0.11.0](https://docs.openforcefield.org/projects/toolkit/en/stable/releasehistory.html#breaking-change-interchange-now-responsible-for-system-parametrization). To access the `Topology` that results from parametrization, call `ForceField.create_interchange` and access the `.topology` attribute of the returned `Interchange` object.
- [PR #1506](https://github.com/openforcefield/openff-toolkit/pull/1506):
Removes several classes and properties in the `topology` submodule that were [deprecated in version 0.11.0](https://docs.openforcefield.org/projects/toolkit/en/stable/releasehistory.html#breaking-change-topology-molecule-representation).
- [PR #1506](https://github.com/openforcefield/openff-toolkit/pull/1506): Removes several classes and properties in the `topology` submodule that were [deprecated in version 0.11.0](https://docs.openforcefield.org/projects/toolkit/en/stable/releasehistory.html#breaking-change-topology-molecule-representation).


### Behavior changes

- [PR #1652](https://github.com/openforcefield/openff-toolkit/pull/1652): Fixes issue [#1642](https://github.com/openforcefield/openff-toolkit/issues/1642) by making AmberToolsToolkitWrapper thread-safe (previously `AmberToolsToolkitWrapper.assign_partial_charges` and `assign_fractional_bond_orders` were not)

### Bugfixes

- [PR #1654](https://github.com/openforcefield/openff-toolkit/pull/1654): Fixes issue [#1653](https://github.com/openforcefield/openff-toolkit/issues/1653), where a test that expected RDKit to fail began returning an error when RDKit became able to generate conformers for octahedral molecules.

### New features

### Improved documentation and warnings
- [PR #1572](https://github.com/openforcefield/openff-toolkit/pull/1572): Improved installation guide in line with ecosystem docs.

Expand Down

0 comments on commit a5a90ad

Please sign in to comment.