Closed Hanxiaoze closed 1 year ago
Hi @Hanxiaoze ,
unfortunately, I cannot reproduce version incompatibilities during installation. Did you set up a fresh environment or did you try to install schnetpack-gschnet
into an existing environment? In a new environment, the packages should install fine. I just set up a new environment and these are the versions that were installed:
torch 2.0.0
pytorch-lightning 2.0.1
hydra-core 1.3.2
hydra-colorlog 1.2.0
ase 3.22.1
python 3.11.3
However, when running the code to train a model, the schnetpack
package currently currently causes a problem with pytorch-lightning>=2.0
as pointed out in https://github.com/atomistic-machine-learning/schnetpack-gschnet/issues/7#issuecomment-1517549027. Please install pytorch-lightning==1.9
manually until we release a new schnetpack
version on PyPi (I will take care of this later today).
Hope this helps! Best, Niklas
What is the exact version number of pytorch, pytorch_lightning, hydra-core, hydra-colorlog, ase, python? Can you provide the exact version number for us. I used the setup.py, but got lots of Error because of the version incompatibility. I would really appreciate your help.