Because of (at least) smee's requirements, the solver only pulls down rdkt =2023.09.6. Locally if I constrain to even rdkit >=2024 the environment can't solve.
I would love to not depend on AmberTools for development here - is there a reason to include it?
Because of (at least)
smee's requirements, the solver only pulls downrdkt =2023.09.6. Locally if I constrain to evenrdkit >=2024the environment can't solve.I would love to not depend on AmberTools for development here - is there a reason to include it?