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atravitzIAlibaydotsdl
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Release/v1.7.1 (#672) (#754)
* Replace pprint with model_dump in _ipython_display_ of SettingsBaseModel (#653) * min pin rdkit (#665) * fix msgpack `pint.errors.OffsetUnitCalculusError` when defining in celsius (#666) * add test that breaks * add fix * add news * Added Protocol how-to doc (#594) * Seeded protocol how-to * Finished document, with substantial help from Claude * Apply suggestions from code review * Changes from @atravitz review * Fix sphinx build warning * Apply suggestion from @IAlibay * Edits from review comments * Added additional notes on Settings objects to protocol how-to * Added additional notes to protocol how-to step 2 * Added more realism to ProtocolResult implementation in Protocol how-to * Added serialization concept doc giving supported types * Added link to serialization concept doc in tokenizable concept doc * Added additional notes for ProtocolUnits in Protocol how-to * Reworked ProtocolUnits example in Protocol how-to; made changes elsewhere to accommodate * Addressed remaining reviwe comments * precommit * add serialization to index --------- * expose GufeToeknizableTestsMixin (#669) * run ci on all branches (#673) * Updated CHANGELOG for 1.7.1 * update changelog --------- Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com> Co-authored-by: David L. Dotson <dotsdl@gmail.com>
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.github/workflows/ci.yaml

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# At 07:00 UTC on Monday and Thursday.
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docs/CHANGELOG.rst

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* Fixed a bug where ``GufeTokenizables`` using openff units of Celsius would throw a ``pint.errors.OffsetUnitCalculusError`` error when using MessagePack serialization (`PR #666 <https://github.com/OpenFreeEnergy/gufe/pull/666>`_).
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* a ``ProtocolDAG`` created with ``ProtocolUnit``\s not explicitly represented on init now raises ``ProtocolDAGError`` (`PR #583 <https://github.com/OpenFreeEnergy/gufe/pull/583>`_).
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v1.7.1
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====================
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**Fixed:**
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* Fixed a bug where ``GufeTokenizables`` using openff units of Celsius would throw a ``pint.errors.OffsetUnitCalculusError`` error when using MessagePack serialization (`PR #666 <https://github.com/OpenFreeEnergy/gufe/pull/666>`_)
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* Fixed a Pydantic deprecation warning when viewing ``Settings`` in an IPython display (such as a jupyter notebook (`PR #653 <https://github.com/OpenFreeEnergy/gufe/pull/666>`_).
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v1.7.0

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