diff --git a/dpdata/system.py b/dpdata/system.py index a84f31c59..bc6312f38 100644 --- a/dpdata/system.py +++ b/dpdata/system.py @@ -964,7 +964,12 @@ def predict(self, dp): labeled_sys LabeledSystem The labeled system. """ - import deepmd.DeepPot as DeepPot + try: + # DP 1.x + import deepmd.DeepPot as DeepPot + except ModuleNotFoundError: + # DP 2.x + from deepmd.infer import DeepPot if not isinstance(dp, DeepPot): dp = DeepPot(dp) type_map = dp.get_type_map() @@ -1800,7 +1805,12 @@ def from_deepmd_npy(self, folder): return self def predict(self, dp): - import deepmd.DeepPot as DeepPot + try: + # DP 1.x + import deepmd.DeepPot as DeepPot + except ModuleNotFoundError: + # DP 2.x + from deepmd.infer import DeepPot if not isinstance(dp, DeepPot): dp = DeepPot(dp) new_multisystems = dpdata.MultiSystems()