deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
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ModuleNotFoundError: No module named 'deepmd.lib' #3664

Open zhaowenlon opened 2 months ago

zhaowenlon commented 2 months ago

Bug summary

import dpdata

training_systems = dpdata.LabeledSystem("/deepmd-kit-master/examples/water/data/data_3", fmt = "deepmd/npy")

print(training_systems["energies"])

predict = training_systems.predict("/deepmd-kit-master/examples/water/se_e2_a/graph-compress.pb")

DeePMD-kit Version

deepmd-kit 2.2.10

Backend and its version

TensorFlow v2.16

How did you download the software?

Offline packages

Input Files, Running Commands, Error Log, etc.

import deepmd.lib ModuleNotFoundError: No module named 'deepmd.lib'

Steps to Reproduce

import dpdata

training_systems = dpdata.LabeledSystem("/deepmd-kit-master/examples/water/data/data_3", fmt = "deepmd/npy")

print(training_systems["energies"])

predict = training_systems.predict("/deepmd-kit-master/examples/water/se_e2_a/graph-compress.pb")

Further Information, Files, and Links

No response

njzjz commented 2 months ago

Could you provide the entire traceback?

DeePMD-kit Version

deepmd-kit 2.2.10

Backend and its version

TensorFlow v2.16

How did you download the software?

Offline packages

The offline package for v2.2.10 doesn't contain TensorFlow v2.16. Could you recheck the above information?

zhaowenlon commented 2 months ago

in deepmd/env.py,line 31,import deepmd.lib ModuleNotFoundError: No module named 'deepmd.lib'

zhaowenlon commented 2 months ago

not find lib in deepmd file

njzjz commented 1 month ago

Did you install it? It seems you just run the source code, which won't work