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Install PTMPSI with 11/21/2023 code vs Feb/2024 one #11

Open kimdn opened 7 months ago

kimdn commented 7 months ago

With 11/21/2023 code, installing PTM-PSI is quick and easy. I can run PTM-PSI.

However, with the latest Feb/2024 code, I cannot install, let alone run. Screenshot 2024-04-17 at 2 00 18 PM

dmejiar commented 7 months ago

@kimdn This is a problem when installing mdtraj with Apple Clang. As a workaround you can install mdtraj by itself with

CFLAGS=" -Wno-error=incompatible-function-pointer-types" pip install mdtraj