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Finalize 0.4.0 release notes (#471)
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* Finalize 0.4.0 release notes

* Update some constraints

* Update for MDTraj upper constraint

* Minor cleanup
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mattwthompson authored Sep 16, 2022
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1 change: 1 addition & 0 deletions devtools/README.md
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Expand Up @@ -12,3 +12,4 @@ This directory contains the files to setup the Conda environment for testing pur

* `conda-envs`: directory containing the YAML file(s) which fully describe Conda Environments, their dependencies, and those dependency provenance's
* `test_env.yaml`: Simple test environment file with base dependencies. Channels are not specified here and therefore respect global Conda configuration
* `docs_env.yaml`: Environment used in building docs, both locally and on RTD.
2 changes: 1 addition & 1 deletion devtools/conda-envs/docs_env.yaml
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name: evaluator
name: evaluator-docs
channels:
- conda-forge
dependencies:
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15 changes: 11 additions & 4 deletions docs/releasehistory.rst
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Expand Up @@ -18,15 +18,22 @@ This release is intended to be compatible with OpenFF Toolkit version 0.11.0 and
compatible with older versions. To use OpenFF Evaluator in environments with older versions of the
toolkit (0.10.x and older) please use the 0.3.x release line.

The `simtk` namespace is no longer supported. It is recommended to use OpenMM 7.6 or newer.
The ``simtk`` namespace is no longer supported. It is recommended to use OpenMM 7.6 or newer.

Unit-bearing quantities are now handled by `openff-units` instead of the `openmm.units` units
module. See the ```openff-units`` Documentation <https://github.com/openforcefield/openff-units>`_
for more information, including OpenMM interoperability.
Two other version constraints have been added: ``pymbar >=4.0.0`` and ``mdtraj =1.9.3,1.9.4``. A
future release should fix compatibility with newer versions of MDTraj.

Unit-bearing quantities are now handled by ``openff-units`` instead of the ``openmm.units`` units
module. See the ``openff-units`` `Documentation <https://docs.openforcefield.org/projects/units/en/stable/>`_ for more information, including OpenMM interoperability.

The use of `CMILES <https://github.com/openforcefield/cmiles>`_ has been replaced with equivalent
behavior using the OpenFF Toolkit as CMILES is no longer actively maintained.

New Features
""""""""""""

* PR `#465 <https://github.com/openforcefield/openff-evaluator/pull/465>`_: Adds support for AMD GPUs via OpenCL.

Documentation
"""""""""""""

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