Merge pull request #200 from pyiron/which_file_failed

Provide Feedback which file failed to parse

pysqa/utils/basic.py

@@ -8,6 +8,7 @@
 
 import pandas
 from jinja2 import Template
+from jinja2.exceptions import TemplateSyntaxError
 
 from pysqa.utils.execute import execute_command
 from pysqa.utils.queues import Queues
@@ -485,7 +486,16 @@ def _load_templates(queue_lst_dict, directory="."):
         for queue_dict in queue_lst_dict.values():
             if "script" in queue_dict.keys():
                 with open(os.path.join(directory, queue_dict["script"]), "r") as f:
-                    queue_dict["template"] = Template(f.read())
+                    try:
+                        queue_dict["template"] = Template(f.read())
+                    except TemplateSyntaxError as error:
+                        raise TemplateSyntaxError(
+                            message="File: "
+                            + queue_dict["script"]
+                            + " - "
+                            + error.message,
+                            lineno=error.lineno,
+                        )
 
     @staticmethod
     def _value_error_if_none(value):

tests/config/bad_template/bad.sh

@@ -0,0 +1 @@
+{%- endif %}

tests/config/bad_template/queue.yaml

@@ -0,0 +1,4 @@
+queue_type: SLURM
+queue_primary: bad
+queues:
+  bad: {cores_max: 100, cores_min: 10, run_time_max: 259200, script: bad.sh}

tests/test_basic.py

@@ -3,6 +3,7 @@
 
 import os
 import unittest
+from jinja2.exceptions import TemplateSyntaxError
 from pysqa import QueueAdapter
 from pysqa.utils.basic import BasisQueueAdapter
 
@@ -21,9 +22,12 @@ def setUpClass(cls):
         cls.path = os.path.dirname(os.path.abspath(__file__))
 
     def test_missing_config(self):
-        self.assertRaises(
-            ValueError, QueueAdapter, directory=os.path.join(self.path, "config/error")
-        )
+        with self.assertRaises(ValueError):
+            QueueAdapter(directory=os.path.join(self.path, "config/error"))
+
+    def test_bad_queue_template(self):
+        with self.assertRaises(TemplateSyntaxError):
+            QueueAdapter(directory=os.path.join(self.path, "config/bad_template"))
 
 
 class TestBasisQueueAdapter(unittest.TestCase):