fix(IMPORTANT): fix unsorted task_list induced bug using fpop for VAS…

…P and ABACUS calculation
deepmodeling · Nov 6, 2023 · be33a18 · be33a18
1 parent fde089e
commit be33a18
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Showing 4 changed files with 4 additions and 3 deletions.
diff --git a/apex/__init__.py b/apex/__init__.py
@@ -1,5 +1,5 @@
 import os
-__version__ = '1.1.0'
+__version__ = '1.1.1'
 LOCAL_PATH = os.getcwd()
 
 

diff --git a/apex/op/property_ops.py b/apex/op/property_ops.py
@@ -164,6 +164,7 @@ def execute(
         task_list.sort()
         os.chdir(input_work_path)
         task_list_str = glob.glob(path_to_prop + '/' + 'task.*')
+        task_list_str.sort()
 
         all_jobs = task_list
         njobs = len(all_jobs)

diff --git a/apex/superop/SimplePropertySteps.py b/apex/superop/SimplePropertySteps.py
@@ -140,7 +140,7 @@ def _build(
     ):
         # Step for property make
         make = Step(
-            name="prop-make",
+            name="Props-make",
             template=PythonOPTemplate(
                 make_op,
                 image=make_image,

diff --git a/setup.py b/setup.py
@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="apex-flow",
-    version="1.1.0",
+    version="1.1.1",
     author="Zhuoyuan Li, Tongqi Wen",
     author_email="zhuoyli@outlook.com",
     description="Alloy Properties EXplorer using simulations",