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add lazy_loader #51

Merged
merged 7 commits into from
Apr 9, 2023
Merged

add lazy_loader #51

merged 7 commits into from
Apr 9, 2023

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PythonFZ
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@PythonFZ PythonFZ commented Apr 8, 2023

@PythonFZ
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PythonFZ commented Apr 8, 2023

Edit: should be resolved with znflow v.0.1.11


There seems to be an issue with znflow and lazy_loading:

Does not work

with ipsuite.Project() as project:
     model = ipsuite.models.GAP(soap={"cutoff": 0.7}, data=train_selection)

works

ipsuite.models.GAP(data=None, soap={})

with ipsuite.Project() as project:
     model = ipsuite.models.GAP(soap={"cutoff": 0.7}, data=train_selection)

Potential fix

In the zntrack.Node add (can we do this inside znflow) ?:

  def __init_subclass__(cls, **kwargs):
      with znflow.disable_graph():
          return super().__init_subclass__(**kwargs)

@PythonFZ PythonFZ added the awaiting-review PR that a ready to be reviewd and merged label Apr 9, 2023
@PythonFZ PythonFZ merged commit 6600b65 into main Apr 9, 2023
@PythonFZ PythonFZ deleted the lazy_loading branch April 9, 2023 19:46
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XTB does not work with nequip import
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