Update software

[jychoi-hpc]

WIP: upgrading software

[jychoi-hpc]

I think I found an issue with pyg 2.5.0: pyg-team/pytorch_geometric#8994
I am downgrading to pyg 2.3.1.

[jychoi-hpc]

I think it is working now. @allaffa and @pzhanggit, can you look?

[allaffa]

Clarification needed for Python 3.10

[allaffa]

I am still puzzeled by the following error. I often get this error not always but from time to time:

  File "/workspace/hydragnn/run_training.py", line 75, in _
    model = create_model_config(
  File "/workspace/hydragnn/models/create.py", line 36, in create_model_config
    return create_model(
  File "/workspace/hydragnn/models/create.py", line 189, in create_model
    model = CGCNNStack(
  File "/workspace/hydragnn/models/CGCNNStack.py", line 34, in __init__
    super().__init__(
  File "/workspace/hydragnn/models/Base.py", line 102, in __init__
    self._init_conv()
  File "/workspace/hydragnn/models/Base.py", line 110, in _init_conv
    self.graph_convs.append(self.get_conv(self.input_dim, self.hidden_dim))
  File "/workspace/hydragnn/models/CGCNNStack.py", line 43, in get_conv
    cgcnn = CGConv(
  File "/usr/local/lib/python3.8/dist-packages/torch_geometric/nn/conv/cg_conv.py", line 57, in __init__
    super().__init__(aggr=aggr, **kwargs)
  File "/usr/local/lib/python3.8/dist-packages/torch_geometric/nn/conv/message_passing.py", line 190, in __init__
    self.__class__._jinja_propagate = module.propagate
AttributeError: module 'torch_geometric.nn.conv.cg_conv_CGConv_propagate' has no attribute 'propagate'

@pzhanggit @allaffa have you seen such error before?

@jychoi-hpc
Yesterday, inspecting the output of the CI workflow tests, I noticed that you were obtaining this error when you were trying to use Python 3.10. However, it seems weird that the version of Python causes this error. This seems more of an error due to the fact that the function method is not found in the implementation of the class, and this should not change with the version of Python used.

[jychoi-hpc]

I found the error can happen for any python version. It is from pyg 2.5.0 (pyg-team/pytorch_geometric#8994). After using pyg 2.3.0, it works now. I put back "3.10" python. Let's test with python 3.8 and 3.10. We can add more but it will slow down the ci test workflow.

[pzhanggit]

Looks good to me.

[allaffa]

@pzhanggit @jychoi-hpc
Let's discuss about the versions of python to use.
Please see comments that I added with my last review.

[allaffa]

Yes. Let’s use Python 3.9 and 3.11

[allaffa]

Pickle is not needed anymore for Python versions >= 3.9

[allaffa]

Looks fine to me.

[pzhanggit]

Looks good to me too