Changelog for humans
https://docs.openfree.energy/en/stable/CHANGELOG.html#v1-3-0
All PRs in this release:
- Move CLI README so that it's easier to find by @atravitz in #1009
- Add release checklist by @atravitz in #1007
- Temporarily pin openmm to < 8.2 by @IAlibay in #1015
- Edits to User Guide documentation by @atravitz in #995
- More user guide edits by @atravitz in #1018
- add example notebooks bump to task list by @atravitz in #1022
- detect if API breaks on PR by @mikemhenry in #727
- Remove macos12 ahead of brownout by @atravitz in #1025
- Compute selection: deviceIndex & enforce 1 thread in vacuum by @IAlibay in #752
- include gufe main and latest in ci matrix by @atravitz in #1036
- 986 input validation for directory names by @atravitz in #1024
- create test data for quickrun submitted in parallel by @atravitz in #1040
- Add gather docstrings by @atravitz in #1041
- Make MST network test deterministic by @jthorton in #1046
- Fix TYK2 example network tests by @jthorton in #1047
- switch ci matrix to test against gufe main again by @atravitz in #1050
- add warning for unsupported settings yaml parameters by @atravitz in #1051
- fix issue #1042 and also test openfecli for API breaks by @mikemhenry in #1054
- Fix CI- GUFE imports by @jthorton in #1060
- Make MD output settings optional by @hannahbaumann in #1058
- CLI adaptive settings for charge change transformations by @jthorton in #1053
- Simplify settings help message by @atravitz in #1052
- Add gather support for parallel dir structure by @atravitz in #1044
- Test cofactor networks generated with the CLI by @jthorton in #1048
- move import to speed up cli by @atravitz in #1066
- Support outdir created at runtime by @atravitz in #1072
- Write tests for position and velocity writing frequency by @hannahbaumann in #1086
- 1089 fix tests for missing gather data by @atravitz in #1090
- Update docs for parallel repeat file structure by @jthorton in #1092
- add support for one repeat per json by @atravitz in #1076
- Use MBAR bootstrap error by @jthorton in #1077
- gather - show all failed edges in error message by @atravitz in #1095
- Testing out what partial charges could look over the CLI by @IAlibay in #1068
- Add perses back in for testing, pin gufe, and fix bootstrap tests by @mikemhenry in #1108
- Add lomap network generator by @atravitz in #1082
- Fixes multistate structural analysis time storing & reading by @IAlibay in #1114
- Add support for variable position/velocity trajectory writing by @IAlibay in #1083
- updating news entry for clarity by @atravitz in #1118
- remove "easy_" prefix from cli output by @atravitz in #1121
- Add a note on charge generation during CLI workflows by @jthorton in #1117
- Add supported software versions by @atravitz in #1119
- Release prep v1.3.0 by @atravitz in #1124
- updating lomap and openfe analysis pins by @atravitz in #1125
- Fix issue 1128 & 1129 by @mikemhenry in #1135
- adding user message for --n-protocol-repeats transparency by @atravitz in #1137
Full Changelog: v1.2.0...v1.3.0