Link between PLUMED and i-PI whit deepMD-kit

[mcourtiel]

Hello everyone,

I am trying to perform path-integral MD simulations using i-PI with a DeepMD potential and a bias created with PLUMED.

The versions I am using are:

DeepMD version: 2.2.10
PLUMED version: 2.8 (the one inside the DeepMD environment)
i-PI version: [unknown, but it usually works well without PLUMED]

However, I am encountering the following error message:

The error message is the following one :
File "/PATH/TO/IPI/ipi/engine/forcefields.py", line 688, in init
raise ImportError(
ImportError: Cannot find plumed libraries to link to a FFPlumed object/

I would appreciate any assistance in resolving this issue.
I think I might be missing something in the configuration or linking process.

Thank you in advance for your help!

[njzjz]

It seems ipi needs a Python interface of plumed, which is available in py-plumed