From 56a6be7f257edfb681b80506ab7d1c618529fada Mon Sep 17 00:00:00 2001 From: Andrea Rizzi Date: Wed, 3 Oct 2018 16:50:09 -0400 Subject: [PATCH 1/2] Update whatsnew.rst --- docs/whatsnew.rst | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/docs/whatsnew.rst b/docs/whatsnew.rst index 8e1c16d2..9c4b4fd0 100644 --- a/docs/whatsnew.rst +++ b/docs/whatsnew.rst @@ -6,11 +6,10 @@ This section features and improvements of note in each release. The full release history can be viewed `at the GitHub yank releases page `_. -0.23.6 Development ------------------- +0.23.6 Bugfix release +--------------------- -- Fix bug where redefining ``MCDisplacement/RotationMove`` in the YAML ``mcmc_moves`` block without specifying ``atom_subset`` -caused the MC move to affect the whole system instead of only the ligand atoms (`#1099 `_). +- Fix bug where redefining ``MCDisplacement/RotationMove`` in the YAML ``mcmc_moves`` block without specifying ``atom_subset`` caused the MC move to affect the whole system instead of only the ligand atoms (`#1099 `_). - Add ``net_charge`` option to the antechamber YAML pipeline for charged small molecules (`#1099 `_). - Added YAML syntax tutorial in the online documentation (`#1099 `_). From 45b75db88569dadf82bbd6e33165c371e715fee4 Mon Sep 17 00:00:00 2001 From: Andrea Rizzi Date: Wed, 3 Oct 2018 16:50:33 -0400 Subject: [PATCH 2/2] Release 0.23.6 --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index 42bc9878..ab8b1552 100644 --- a/setup.py +++ b/setup.py @@ -12,8 +12,8 @@ ######################## VERSION = "0.23.6" # Primary base version of the build -DEVBUILD = 0 # Dev build status, Either None or Integer -ISRELEASED = False # Are we releasing this as a full cut? +DEVBUILD = None # Dev build status, Either None or Integer +ISRELEASED = True # Are we releasing this as a full cut? __version__ = VERSION ######################## CLASSIFIERS = """\