Merge pull request #23 from Lnaden/master

Update to 0.5.1
MolSSI · Jan 29, 2019 · af31786 · af31786
2 parents 084be0b + 777106d
commit af31786
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Showing 6 changed files with 25 additions and 13 deletions.
diff --git a/devtools/conda-envs/psi.yaml b/devtools/conda-envs/psi.yaml
@@ -9,7 +9,7 @@ dependencies:
   - pyyaml
   - py-cpuinfo
   - psutil
-  - qcelemental >=0.2.1
+  - qcelemental >=0.2.2
   - pydantic >=0.18.1
 
     # Testing

diff --git a/devtools/conda-envs/rdkit.yaml b/devtools/conda-envs/rdkit.yaml
@@ -9,7 +9,7 @@ dependencies:
   - pyyaml
   - py-cpuinfo
   - psutil
-  - qcelemental >=0.2.1
+  - qcelemental >=0.2.2
   - pydantic >=0.18.1
 
     # Testing

diff --git a/devtools/conda-envs/torchani.yaml b/devtools/conda-envs/torchani.yaml
@@ -10,7 +10,7 @@ dependencies:
   - pyyaml
   - py-cpuinfo
   - psutil
-  - qcelemental >=0.2.1
+  - qcelemental >=0.2.2
   - pydantic >=0.18.1
 
     # Testing

diff --git a/devtools/conda-recipe/meta.yaml b/devtools/conda-recipe/meta.yaml
@@ -1,6 +1,6 @@
 package:
   name: qcengine
-  version: "0.2.2"
+  version: "0.5.1"
 
 source:
   path: ../..
@@ -20,7 +20,7 @@ requirements:
     - py-cpuinfo
     - pyyaml
     - psutil
-    - qcelemental
+    - qcelemental >=0.2.2
 
 test:
   requires:

diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst
@@ -1,17 +1,27 @@
 Changelog
 =========
 
-vX.Y.0 / 2019-MM-DD
+.. vX.Y.0 / 2019-MM-DD
+.. -------------------
+..
+.. New Features
+.. ++++++++++++
+..
+.. Enhancements
+.. ++++++++++++
+..
+.. Bug Fixes
+.. +++++++++
+
+v0.5.1 / 2019-01-29
 -------------------
 
-New Features
-++++++++++++
-
 Enhancements
 ++++++++++++
 
-Bug Fixes
-+++++++++
+- (:pr:`22`) Compute results are now returned as a dict of Python Primals which have
+  been serialized-deserialized through Pydantic instead of returning un-processed Python objects
+  or json-compatible string.
 
 v0.5.0 / 2019-01-28
 -------------------

diff --git a/setup.py b/setup.py
@@ -16,7 +16,7 @@
             'pyyaml',
             'py-cpuinfo',
             'psutil',
-            'qcelemental>=0.2.1',
+            'qcelemental>=0.2.2',
             'pydantic>=0.18.0'
         ],
         entry_points={"console_scripts": [
@@ -43,8 +43,10 @@
         classifiers=[
             'Development Status :: 4 - Beta',
             'Intended Audience :: Science/Research',
-            'Programming Language :: Python :: 2.7',
+            'Programming Language :: Python :: 3 :: Only',
             'Programming Language :: Python :: 3',
+            'Programming Language :: Python :: 3.6',
+            'Programming Language :: Python :: 3.7',
         ],
         zip_safe=False,
         long_description="""