Meredith-Lab / volcalc

volcalc: Calculate Volatility of Chemical Compounds
https://meredith-lab.github.io/volcalc/
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Chemminer update fix #67

Closed Aariq closed 11 months ago

Aariq commented 11 months ago

Handles #54 by expecting different output from ChemmineR::groups() depending on the version installed. Haven't tested (locally) with dev version of ChemmineR yet, but actions should now pass even if they install dev versions of ChemmineR