OpenFreeEnergy/openfe v1.9.0 on GitHub

Changelog for humans

https://docs.openfree.energy/en/latest/CHANGELOG.html#v1-9-0

All PRs included in this release:

add openeye w/ python 3.13 test to CI by @atravitz in #1745
bump python version for conda cron by @atravitz in #1748
remove mypy rdkit pin by @atravitz in #1753
Make the multistate hybrid topology samplers not require the HybridTopologyFactory by @IAlibay in #1768
Migrate validation to Protocol._validate in HybridTopologyProtocol by @IAlibay in #1740
Move rfe protocol by @IAlibay in #1769
Breakdown rfe protocolunit by @IAlibay in #1770
Have two separate system generators for state A & B in hybrid protocol by @IAlibay in #1772
HybridTop structural analysis via API rather than CLI by @IAlibay in #1771
making some language clearer on github-facing things by @atravitz in #1758
Moving AFE Protocols around a bit by @IAlibay in #1775
Create setup, run, and analysis units for HybridTop Protocol by @IAlibay in #1773
update docs for multiple protocol units by @atravitz in #1793
Update docstring for hybridtop classes by @IAlibay in #1794
Small improvement in RelativeHybridTopologyProtocol docstring by @IAlibay in #1797
turn off zenodo retry by @atravitz in #1802
only run CI on macos python 3.12 by @atravitz in #1803
Turn AFE protocols into multiple units by @IAlibay in #1776
move to src layout by @atravitz in #1805
Temporarily build pooch from main w/ hotfix by @atravitz in #1806
make CLI starting guide easier to find from the landing page by @atravitz in #1787
Update pyproject.toml by @IAlibay in #1813
refactor: clean up test data handling by @atravitz in #1815
min pin pooch to fix data fetching by @atravitz in #1820
fix api break check path by @atravitz in #1825
fix scope mismatch with zenodo data by @atravitz in #1828
numpy >=2.3.0 support by @atravitz in #1558
pin smirnoff99frosst by @atravitz in #1837
add --download-only option to openfe test by @atravitz in #1814
Release/v1.9.0 by @atravitz in #1835

Full Changelog: v1.8.1...v1.9.0