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support DP 2.x inference (#162)
* support DP 2.x inference which has a breaking change in the inference interface * update another place where deepmd is imported
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dpdata/system.py

Lines changed: 12 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -964,7 +964,12 @@ def predict(self, dp):
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labeled_sys LabeledSystem
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The labeled system.
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"""
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import deepmd.DeepPot as DeepPot
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try:
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# DP 1.x
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import deepmd.DeepPot as DeepPot
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except ModuleNotFoundError:
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# DP 2.x
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from deepmd.infer import DeepPot
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if not isinstance(dp, DeepPot):
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dp = DeepPot(dp)
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type_map = dp.get_type_map()
@@ -1800,7 +1805,12 @@ def from_deepmd_npy(self, folder):
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return self
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def predict(self, dp):
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import deepmd.DeepPot as DeepPot
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try:
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# DP 1.x
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import deepmd.DeepPot as DeepPot
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except ModuleNotFoundError:
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# DP 2.x
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from deepmd.infer import DeepPot
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if not isinstance(dp, DeepPot):
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dp = DeepPot(dp)
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new_multisystems = dpdata.MultiSystems()

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