Add manual workflow for updating regression baselines #106

Job	Run time
Discover regression systems	59s
Pre-commit	1m 16s
Unit (windows-2025, 3.14)	1m 45s
Unit (ubuntu-24.04, 3.14)	50s
Unit (macos-15, 3.14)	1m 21s
Unit (ubuntu-24.04, 3.13)	48s
Unit (windows-2025, 3.13)	1m 44s
Unit (macos-15, 3.13)	1m 12s
Unit (ubuntu-24.04, 3.12)	52s
Unit (windows-2025, 3.12)	1m 46s
Unit (macos-15, 3.12)	1m 16s
Coverage	1m 3s
Regression (fast) • water	2m 54s
Regression (fast) • ethyl-acetate	3m 20s
Docs	1m 6s
Regression (fast) • methanol	2m 9s
Regression (fast) • benzene	2m 49s
Regression (fast) • dna	1m 43s
Regression (fast) • methane	2m 11s
Regression (fast) • octonol	5m 15s
Regression (fast) • cyclohexane	3m 43s
Regression (fast) • benzaldehyde	3m 16s
	43m 18s

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