Releases: OpenFreeEnergy/cinnabar
Releases · OpenFreeEnergy/cinnabar
0.4.1 - Py 3.12 packaging hotfix
Updates versioneer vendored files to allow conda-forge build
0.4.0 - Rework of FEMap API
Major Changes
The FEMap
API has been reworked, see #72 and #84 for discussion and changes.
What's Changed
- remove linux py3.7 from matrix, bump osx to 3.9 by @richardjgowers in #79
- Rework FEMap object by @richardjgowers in #72
- Testing CI by @IAlibay in #80
- don't codecov on cron builds by @richardjgowers in #85
- add readthedocs yaml by @richardjgowers in #90
- Readthedocs yaml by @richardjgowers in #91
- Fix Read the Docs Builds by @mikemhenry in #95
- fix badge URL by @mikemhenry in #96
- remove AbsoluteMeasurement concept by @richardjgowers in #84
- update RTD badge & fix doc url by @mikemhenry in #98
- Switch to OFE theme by @Yoshanuikabundi in #100
New Contributors
- @Yoshanuikabundi made their first contribution in #100
Full Changelog: 0.3.0...0.4.0
v0.3.0
What's Changed
- Update how RMSE and MUE (and their CIs) are computed by @zhang-ivy in #74
- Fix test_confidence_interval_edge_case by @zhang-ivy in #76
- Allow control of marker size (and other aspects of plt.scatter) by @zhang-ivy in #78
Full Changelog: 0.2.4...0.3.0
v0.2.4
Full Changelog: 0.2.3...0.2.4
v0.2.3
What's Changed
- Fixed CLI not working for various reasons by @annamherz in #69
- add cli entrypoint to installation by @richardjgowers in #71
New Contributors
- @annamherz made their first contribution in #69
Full Changelog: 0.2.2...0.2.3
v0.2.2
What's Changed
- updating default branch to main by @mikemhenry in #41
- Fix CI and badges by @IAlibay in #58
- Fix CI Badge by @mikemhenry in #60
- rename from arsenic to cinnabar by @richardjgowers in #63
- Improve plotting.py by @zhang-ivy in #64
- Allow control of font size and the x- and y-axis limits by @zhang-ivy in #68
New Contributors
- @IAlibay made their first contribution in #58
- @richardjgowers made their first contribution in #63
- @zhang-ivy made their first contribution in #64
Full Changelog: 0.2.1...0.2.2
v0.2.1
What's Changed
- Fix for codecov by @mikemhenry in #32
- Fix #37: Fix erroneous MLE estimate when self-edges are included by @jchodera in #38
- Release Changelog notes v0.2.1 by @mikemhenry in #40
New Contributors
- @mikemhenry made their first contribution in #32
- @jchodera made their first contribution in #38
Full Changelog: 0.2.0...0.2.1
v0.2.0 Release
0.1.0
First release