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Merge pull request #1171 from choderalab/release-0.24.1
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Release 0.24.1
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andrrizzi authored Jun 1, 2019
2 parents 06aebe8 + 4363706 commit 3a2856b
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8 changes: 8 additions & 0 deletions docs/whatsnew.rst
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Expand Up @@ -11,8 +11,16 @@ The full release history can be viewed `at the GitHub yank releases page <https:

Bugfixes
^^^^^^^^
- Fixed import of ``logsumexp()`` which was moved from ``scipy.misc`` to ``scipy.special`` (`#1162 <https://github.com/choderalab/yank/pull/1162>`_).
- Fixed a bug in which validation of molecules and system file paths did not consider paths relative to the YAML script path (`#1164 <https://github.com/choderalab/yank/pull/1164>`_).
- Improve the robustness of opening the netcdf file on resuming of the multi-state samplers by setting the environment variable ``HDF5_USE_FILE_LOCKING`` to ``'FALSE'`` after 4 failed attempts (`#1168 <https://github.com/choderalab/yank/pull/1168>`_).
- Fixed a bug causing a crash during exception handling (`#1168 <https://github.com/choderalab/yank/pull/1168>`_).
- Fixed a bug causing a crash in selftest.py when loading OpenEye (`#1170 <https://github.com/choderalab/yank/pull/1170>`_).

Enhancements
^^^^^^^^^^^^
- The class ``yank.utils.TLeap`` can now create octahedral boxes. This is not exposed in the YAML script yet, however (`#1160 <https://github.com/choderalab/yank/pull/1160>`_).


0.24.0 Experimental support for online status files
---------------------------------------------------
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4 changes: 2 additions & 2 deletions setup.py
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DOCLINES = __doc__.split("\n")

########################
VERSION = "0.24.0" # Primary base version of the build
DEVBUILD = 0 # Dev build status, Either None or Integer
VERSION = "0.24.1" # Primary base version of the build
DEVBUILD = None # Dev build status, Either None or Integer
ISRELEASED = True # Are we releasing this as a full cut?
__version__ = VERSION
########################
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