Merge pull request #3 from Zhuoying/main

pull from CI-test-update

Author: itsduowang

.circleci/config.yml

@@ -36,6 +36,7 @@ jobs:
   py3devtest:
     working_directory: ~/atomate
     docker:
+      - image: materialsvirtuallab/circle-ci-pmg-py3:3.7.3
       - image: circleci/mongo:latest
     steps:
       - checkout

atomate/vasp/firetasks/tests/test_lobster_tasks.py

@@ -157,12 +157,12 @@ def test_mongodb_more_files(self):
         self.assertListEqual(load_dict["output"]["chargespilling"], [0.008, 0.008])
         db = self.get_task_database()
         gfs = gridfs.GridFS(db, "lobster_files")
-        results = gfs.find({}).count()
-        self.assertEqual(results, 2)
+        results = gfs.find({})
+        self.assertEqual(len(list(results)), 2)
         for fn in ["ICOHPLIST", "COOPCAR"]:
             oid = load_dict[fn.lower() + "_id"]
-            results = gfs.find({"_id": oid}).count()
-            self.assertEqual(results, 1)
+            results = gfs.find({"_id": oid})
+            self.assertEqual(len(list(results)), 1)
 
     def test_jsonfile_si(self):
         copy_r(self.vasp_si_dir, ".")

atomate/vasp/test_files/atomate/.circleci/images/py3/Dockerfile

@@ -1,6 +1,6 @@
-FROM python:3.6.4
+FROM python:3.7.3
 
 RUN apt-get update && apt-get install -y gfortran python-openbabel python-vtk python3-tk
 RUN wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh
 RUN bash Miniconda3-latest-Linux-x86_64.sh -b
-RUN export PATH=$HOME/miniconda3/bin:$PATH
+RUN export PATH=$HOME/miniconda3/bin:$PATH