Merge pull request #162 from martimunicoy/openff-0.10.1

Upgrade openff-toolkit

devtools/conda/meta.yaml

@@ -24,7 +24,7 @@ requirements:
     - networkx
     - rdkit
     - ambertools
-    - openff-toolkit==0.10.0
+    - openff-toolkit==0.10.1
 
 about:
   home: https://github.com/martimunicoy/peleffy

devtools/envs/standard.yaml

@@ -13,4 +13,4 @@ dependencies:
   - ipython
   - ambertools
   - rdkit
-  - openff-toolkit==0.10.0
+  - openff-toolkit==0.10.1

docs/releasehistory.rst

@@ -15,17 +15,20 @@ This is a minor release of peleffy that adds a new module to generate alchemical
 
 New features
 """"""""""""
+- `PR #154 <https://github.com/martimunicoy/peleffy/pull/154>`_: Introduces Alchemizer module to generate hybrid topologies
 - `PR #155 <https://github.com/martimunicoy/peleffy/pull/155>`_: Adds support for PELE's AMBER with a new Impact template
+- `PR #162 <https://github.com/martimunicoy/peleffy/pull/162>`_: Upgrade to openff-toolkit 0.10.1
 
 Bugfixes
 """"""""
-- `PR #158 <https://github.com/martimunicoy/peleffy/pull/158>`_: Fix minor bug when using the --chain flag and introduces checks for the input PDB in the peleffy.main module. 
-- `PR #159 <https://github.com/martimunicoy/peleffy/pull/159>`_: Fix issues with long atom numbers and heteromolecules extraction.
+- `PR #158 <https://github.com/martimunicoy/peleffy/pull/158>`_: Fix minor bug when using the --chain flag and introduces checks for the input PDB in the peleffy.main module
+- `PR #159 <https://github.com/martimunicoy/peleffy/pull/159>`_: Fix issues with long atom numbers and heteromolecules extraction
 
 Tests added
 """""""""""
+- `PR #154 <https://github.com/martimunicoy/peleffy/pull/154>`_: Adds a collection of tests for Alchemizer module
 - `PR #155 <https://github.com/martimunicoy/peleffy/pull/155>`_: Extends the tests for utils module and introduces new tests for the new AMBER-compatible Impact template
-- `PR #158 <https://github.com/martimunicoy/peleffy/pull/158>`_: Extends the tests for the new checks in the peleffy.main module.
+- `PR #158 <https://github.com/martimunicoy/peleffy/pull/158>`_: Extends the tests for the new checks in the peleffy.main module
 
 
 1.3.4 - OpenFF-2.0 Support

setup.py

@@ -34,14 +34,15 @@ def find_package_data(data_root, package_root):
     + 'a Python package that builds PELE-compatible force '
     + 'field templates.',
     classifiers=[
-        "Development Status :: 1 - Planning",
+        "Development Status :: 5 - Production/Stable",
         "Natural Language :: English",
         "Environment :: Console",
         "Intended Audience :: Science/Research",
         "Topic :: Utilities",
         "License :: OSI Approved :: MIT License",
         "Programming Language :: Python :: 3",
-        "Operating System :: Unix"
+        "Operating System :: Unix",
+        "Operating System :: MacOS"
     ],
     version=versioneer.get_version(),
     cmdclass=versioneer.get_cmdclass(),