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MDAnalysis / MDAKits Public

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Fork 37
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register QMzyme#381

Merged

orbeckst merged 11 commits into

MDAnalysis:mainMDAnalysis/MDAKits:mainfrom

hklem:mainhklem/qmzyme-mdakit:mainCopy head branch name to clipboard

Jun 24, 2026

Conversation Commits11 (11)Checks Files changed

Merged

register QMzyme#381
orbeckst merged 11 commits into
MDAnalysis:mainfrom
hklem:main

Commits

Commits on Jun 5, 2026

Add initial metadata.yaml for QMzyme project
hklem
authored
Update Python version requirements in metadata.yaml
hklem
authored
Add conda commands for QMzyme installation
hklem
authored
Modify run_tests commands in metadata.yaml
hklem
authored
Update metadata.yaml
hklem
authored
Change install to src during tests
hklem
authored
Change development status from 'develop' to 'Beta'
hklem
authored
Update installation command for QMzyme to use python3.11
hklem
authored
Update Python version requirements and clean up metadata
hklem
authored

Commits on Jun 23, 2026

Apply suggestions from code review

hklem
and
orbeckst
authored
Comment out optional entries
hklem
authored

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