bump deepmdkit

esoteric-ephemera · esoteric-ephemera · commit 8d2ab751b710 · 2026-02-04T10:51:37.000-08:00
diff --git a/pyproject.toml b/pyproject.toml
@@ -94,7 +94,7 @@ strict-forcefields = [
     "sevenn==0.10.4",
     "torch==2.2.0",
     "torchdata==0.7.1",                            # TODO: remove when issue fixed
-    "deepmd-kit==2.2.11",
+    "deepmd-kit==3.1.2",
     "tensorflow-cpu==2.20.0",
 ]
 strict = [

Original file line number	Diff line number	Diff line change
`@@ -94,7 +94,7 @@ strict-forcefields = [`
`94`	`94`	`"sevenn==0.10.4",`
`95`	`95`	`"torch==2.2.0",`
`96`	`96`	`"torchdata==0.7.1", # TODO: remove when issue fixed`
`97`		`- "deepmd-kit==2.2.11",`
	`97`	`+ "deepmd-kit==3.1.2",`
`98`	`98`	`"tensorflow-cpu==2.20.0",`
`99`	`99`	`]`
`100`	`100`	`strict = [`