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Merge pull request #1104 from choderalab/release-0.23.7
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Release 0.23.7
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andrrizzi authored Oct 5, 2018
2 parents 39d505a + 390f242 commit 13d0717
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7 changes: 6 additions & 1 deletion docs/whatsnew.rst
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Expand Up @@ -6,10 +6,15 @@ This section features and improvements of note in each release.

The full release history can be viewed `at the GitHub yank releases page <https://github.com/choderalab/yank/releases>`_.

0.23.7 Bugfix release
---------------------

- Fix bug where resuming a simulation caused the checkpoint iteration to crash (`#1103 <https://github.com/choderalab/yank/pull/1103>`_).

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 <https://github.com/choderalab/yank/pull/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 <https://github.com/choderalab/yank/pull/1099>`_).
- Add ``net_charge`` option to the antechamber YAML pipeline for charged small molecules (`#1099 <https://github.com/choderalab/yank/pull/1099>`_).
- Added YAML syntax tutorial in the online documentation (`#1099 <https://github.com/choderalab/yank/pull/1099>`_).

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4 changes: 2 additions & 2 deletions setup.py
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Expand Up @@ -12,8 +12,8 @@

########################
VERSION = "0.23.7" # 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 = """\
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