Bump version, update changelog, install updated tcpb, update pre-comm…

…it to use non-local hooks

.pre-commit-config.yaml

@@ -13,29 +13,20 @@ repos:
       - id: detect-secrets
         stages: [commit]
         exclude: Pipfile.lock
-  - repo: local
+  - repo: https://github.com/PyCQA/isort
+    rev: 5.7.0
     hooks:
       - id: isort
-        name: isort
-        stages: [commit]
-        language: python
-        entry: isort
-        types: [python]
-
+  - repo: https://github.com/psf/black
+    rev: 20.8b1
+    hooks:
       - id: black
-        name: black
-        stages: [commit]
-        language: python
-        entry: black
-        types: [python]
-
+  - repo: https://github.com/PyCQA/flake8
+    rev: 3.8.4
+    hooks:
       - id: flake8
-        name: flake8
-        stages: [commit]
-        language: python
-        entry: flake8
-        types: [python]
-
+  - repo: local
+    hooks:
       - id: mypy
         name: mypy
         stages: [commit]

CHANGELOG.md

@@ -6,9 +6,12 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 
 ## [Unreleased]
 
+## [0.3.1] - 2021-03-10
+
 ### Added
 
 - Changelog
+- Updated `tcpb` package to `>=0.7.1` to enable molden file creation using `imd_orbital_type="whole_c"` keyword.
 
 ## [0.3.0] - 2021-01-26
 
@@ -55,7 +58,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
   3. `/compute/result/{task_id}` to request a result delivered as an AtomicResult object.
 - Auth provided by Auth0.
 
-[unreleased]: https://github.com/mtzgroup/terachem-cloud/compare/0.3.0...HEAD
+[unreleased]: https://github.com/mtzgroup/terachem-cloud/compare/0.3.1...HEAD
+[0.3.1]: https://github.com/mtzgroup/terachem-cloud/releases/tag/0.3.1
 [0.3.0]: https://github.com/mtzgroup/terachem-cloud/releases/tag/0.3.0
 [0.2.1]: https://github.com/mtzgroup/terachem-cloud/releases/tag/0.2.1
 [0.2.0]: https://github.com/mtzgroup/terachem-cloud/releases/tag/0.2.0

Pipfile

@@ -31,9 +31,7 @@ typing-extensions = "*"
 aiofiles = "*"
 qcengine = {ref = "feature-terachem-pbs-harness", git = "https://github.com/mtzgroup/QCEngine.git"}
 amqp = "==5.0.2"
-google = "==1.9.3"
-protobuf = "*"
-tcpb = {ref = "develop", git = "https://github.com/mtzgroup/tcpb-client.git"}
+tcpb = "*"
 
 [requires]
 python_version = "3.7"