release/1.8.0

docs/CHANGELOG.rst

@@ -4,6 +4,24 @@ Changelog
 
 .. current developments
 
+v1.8.0
+====================
+
+**Added:**
+
+* The ``HybridTopologyFactory`` supports building hybrid OpenMM systems which contain ``CMAPTorsionForces`` on non-alchemical atoms. 
+  This should allow for simulations using Amber ff19SB (`PR #1695 <https://github.com/OpenFreeEnergy/openfe/pull/1695>`_).
+* Added experimental features ``openfe gather-septop`` and ``openfe gather-abfe``, which are analogous to ``openfe gather`` and allow for gathering results generated by the Separated Topologies and Absolute Binding Free Energy protocols, respectively.  These commands are experimental and are liable to be changed in a future release.
+* Emit a clarifying log message when a user gets a warning from JAX (`PR #1585 <https://github.com/OpenFreeEnergy/openfe/pull/1585>`_, fixes `Issue #1499 <https://github.com/OpenFreeEnergy/openfe/issues/1499>`_).
+* Disable JAX acceleration by default, see https://docs.openfree.energy/en/latest/guide/troubleshooting.html#pymbar-disable-jax for more information (`PR #1694 <https://github.com/OpenFreeEnergy/openfe/pull/1692>`_).
+
+**Changed:**
+
+* ``openfe gather`` is now more rigorous in extracting ligand names and run types. These are now determined directly from component attributes, rather than relying on naming conventions. (`PR #1691 <https://github.com/OpenFreeEnergy/openfe/pull/1702>`_).
+* Updated installation docs to recommend ``miniconda`` with ``conda-lock`` as the preferred installation method (`PR #1692 <https://github.com/OpenFreeEnergy/openfe/pull/1692>`_).
+
+
+
 v1.7.0
 ====================