Fix unsatisfiable numba version constraint and align conda recipe metadata #91

Job	Run time
Discover regression systems	49s
Pre-commit	1m 11s
Unit (windows-2025, 3.13)	2m 0s
Unit (macos-15, 3.13)	1m 7s
Unit (ubuntu-24.04, 3.12)	53s
Unit (windows-2025, 3.14)	2m 11s
Unit (windows-2025, 3.12)	2m 15s
Unit (ubuntu-24.04, 3.13)	53s
Unit (ubuntu-24.04, 3.14)	58s
Unit (macos-15, 3.14)	1m 1s
Unit (macos-15, 3.12)	1m 1s
Coverage	1m 5s
Regression (fast) • benzaldehyde	3m 28s
Regression (fast) • methane	2m 3s
Regression (fast) • water	1m 55s
Regression (fast) • methanol	2m 10s
Regression (fast) • cyclohexane	3m 57s
Regression (fast) • dna	1m 43s
Regression (fast) • benzene	3m 0s
Regression (fast) • ethyl-acetate	3m 28s
Docs	1m 9s
Regression (fast) • octonol	4m 47s
	43m 4s

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