From 1c65ebeed1cf45e6535653c8744bf890c17cb6bf Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Fri, 4 Jun 2021 07:11:18 -0400 Subject: [PATCH 1/2] support DP 2.x inference which has a breaking change in the inference interface --- dpdata/system.py | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/dpdata/system.py b/dpdata/system.py index a84f31c59..5eed6da32 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() From 05f82c9f92cfd0fb8a4ce884aa16938d1eb190d6 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Fri, 4 Jun 2021 07:37:52 -0400 Subject: [PATCH 2/2] update another place where deepmd is imported --- dpdata/system.py | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/dpdata/system.py b/dpdata/system.py index 5eed6da32..bc6312f38 100644 --- a/dpdata/system.py +++ b/dpdata/system.py @@ -1805,7 +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()