add decrecaption warning when dpdata throws errors while parsing cp2k

dpdata/plugins/cp2k.py

@@ -5,28 +5,44 @@
 from dpdata.format import Format
 
 
+string_warning = """
+Hi, you got an error from dpdata, 
+please check if your cp2k files include full information,
+otherwise its version is not supported by dpdata.
+Try use dpdata plugin from cp2kdata package,
+for details, please refer to
+https://robinzyb.github.io/cp2kdata/
+"""
+
 @Format.register("cp2k/aimd_output")
 class CP2KAIMDOutputFormat(Format):
     def from_labeled_system(self, file_name, restart=False, **kwargs):
-        xyz_file = sorted(glob.glob(f"{file_name}/*pos*.xyz"))[0]
-        log_file = sorted(glob.glob(f"{file_name}/*.log"))[0]
-        return tuple(Cp2kSystems(log_file, xyz_file, restart))
+        try:
+            xyz_file = sorted(glob.glob(f"{file_name}/*pos*.xyz"))[0]
+            log_file = sorted(glob.glob(f"{file_name}/*.log"))[0]
+            return tuple(Cp2kSystems(log_file, xyz_file, restart))
+        except :
+            raise PendingDeprecationWarning(string_warning)
 
 
 @Format.register("cp2k/output")
 class CP2KOutputFormat(Format):
     def from_labeled_system(self, file_name, restart=False, **kwargs):
-        data = {}
-        (
-            data["atom_names"],
-            data["atom_numbs"],
-            data["atom_types"],
-            data["cells"],
-            data["coords"],
-            data["energies"],
-            data["forces"],
-            tmp_virial,
-        ) = dpdata.cp2k.output.get_frames(file_name)
-        if tmp_virial is not None:
-            data["virials"] = tmp_virial
-        return data
+        try:
+            data = {}
+            (
+                data["atom_names"],
+                data["atom_numbs"],
+                data["atom_types"],
+                data["cells"],
+                data["coords"],
+                data["energies"],
+                data["forces"],
+                tmp_virial,
+            ) = dpdata.cp2k.output.get_frames(file_name)
+            if tmp_virial is not None:
+                data["virials"] = tmp_virial
+            return data
+        except:
+            raise PendingDeprecationWarning(string_warning)
+