fix template script that should be loaded to a dict from a json file (#…

…150)

Co-authored-by: Han Wang <wang_han@iapcm.ac.cn>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

dpgen2/entrypoint/args.py

@@ -31,7 +31,7 @@
 
 def dp_dist_train_args():
     doc_config = "Configuration of training"
-    doc_template_script = "File names of the template training script. It can be a `List[Dict]`, the length of which is the same as `numb_models`. Each template script in the list is used to train a model. Can be a `str`, the models share the same template training script. "
+    doc_template_script = "File names of the template training script. It can be a `List[str]`, the length of which is the same as `numb_models`. Each template script in the list is used to train a model. Can be a `str`, the models share the same template training script. "
     dock_student_model_path = "The path of student model"
 
     return [
@@ -55,7 +55,7 @@ def dp_dist_train_args():
 def dp_train_args():
     doc_numb_models = "Number of models trained for evaluating the model deviation"
     doc_config = "Configuration of training"
-    doc_template_script = "File names of the template training script. It can be a `List[Dict]`, the length of which is the same as `numb_models`. Each template script in the list is used to train a model. Can be a `str`, the models share the same template training script. "
+    doc_template_script = "File names of the template training script. It can be a `List[str]`, the length of which is the same as `numb_models`. Each template script in the list is used to train a model. Can be a `str`, the models share the same template training script. "
     doc_init_models_paths = "the paths to initial models"
 
     return [

dpgen2/entrypoint/submit.py

@@ -1,5 +1,6 @@
 import copy
 import glob
+import json
 import logging
 import os
 import pickle
@@ -426,9 +427,9 @@ def workflow_concurrent_learning(
         else config["train"]["template_script"]
     )
     if isinstance(template_script_, list):
-        template_script = [Path(ii).read_text() for ii in template_script_]
+        template_script = [json.loads(Path(ii).read_text()) for ii in template_script_]
     else:
-        template_script = Path(template_script_).read_text()
+        template_script = json.loads(Path(template_script_).read_text())
     train_config = {} if old_style else config["train"]["config"]
     lmp_config = (
         config.get("lmp_config", {}) if old_style else config["explore"]["config"]

tests/entrypoint/test_submit.py

@@ -341,6 +341,7 @@ def setUp(self):
         config["mode"] = "debug"
         self.touched_files = [
             "foo",
+            "foo1",
             "init",
             "bar",
             "tar",
@@ -350,6 +351,8 @@ def setUp(self):
         ]
         for ii in self.touched_files:
             Path(ii).touch()
+        Path("foo").write_text("{}")
+        Path("foo1").write_text("{}")
 
     def tearDown(self):
         from dflow import (
@@ -381,6 +384,7 @@ def setUp(self):
         for ii in self.touched_files:
             Path(ii).touch()
         Path("POSCAR").write_text(ifc0)
+        Path("foo").write_text("{}")
 
     def tearDown(self):
         from dflow import (
@@ -457,7 +461,7 @@ def test(self):
 	"type" :	"dp",
 	"numb_models" : 2,
 	"config" : {},
-	"template_script" : "foo",
+	"template_script" : ["foo", "foo1"],
 "init_models_paths" : ["bar", "tar"],
 	"_comment" : "all"
     },