Merge pull request #1190 from choderalab/release-0.25.0

Release 0.25.0
choderalab · Nov 8, 2019 · 250e0de · 250e0de
2 parents e927248 + 11306ad
commit 250e0de
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diff --git a/docs/whatsnew.rst b/docs/whatsnew.rst
@@ -6,8 +6,8 @@ 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>`_.
 
-0.25.0 - Moved multistate and mpi modules to OpenMMTools and MPIPlus
---------------------------------------------------------------------
+0.25.0 - Moved multistate and mpi modules and new trailblaze algorithm
+----------------------------------------------------------------------
 
 API-breaking changes
 ^^^^^^^^^^^^^^^^^^^^

diff --git a/docs/yamlpages/samplers.rst b/docs/yamlpages/samplers.rst
@@ -9,8 +9,8 @@ Together with the :doc:`mcmc_moves <mcmc>` section, this section provides a flex
 thermodynamic states are efficiently sampled.
 
 This block is fully optional for those who do not wish to fiddle with such settings and to
-support backwards compatible YAML scripts. If this no ``sampler`` is given to ``experiment``, then a DEFAULT one is
-used.
+support backwards compatible YAML scripts. If no ``sampler`` is given to ``experiment``, then Hamiltonian replica exchange
+is used by default.
 
 ----
 
@@ -28,20 +28,18 @@ Samplers Syntax
             number_of_iterations: {NumberOfIterations}
             {SamplerOptions}
 
-The ``{Sampler}`` can be one of the following:
+The **only mandatory** keyword is``type``. The ``{Sampler}`` can be one of the following:
 
 * :ref:`MultistateSampler <yaml_samplers_multistatesampler>`: Independent simulations at distinct thermodynamic states
 * :ref:`ReplicaExchangeSampler <yaml_samplers_repexsampler>`: Replica exchange among thermodynamic states (also called Hamiltonian exchange if only the Hamiltonian is changing)
 * :ref:`SAMSSampler <yaml_samplers_samssampler>`: Self-adjusted mixture sampling (also known as optimally-adjusted mixture sampling)
 
-The above block is the **minimum syntax** needed for any definition for any of the options.
-
 The ``{MCMCName}`` denotes the name of an MCMC scheme block to be used to update the replicas at fixed thermodynamic state.
-See :ref:`MCMC defaults <yaml_mcmc_head>` for more information about MCMC schemes.
+If not given, a default MCMC move is used (see :ref:`MCMC defaults <yaml_mcmc_head>` for more information).
 
 The ``{NumberOfIterations}`` is a non-negative integer that denotes the maximum number of iterations to be run.
 When this block is not given and :ref:`default_number_of_iterations <yaml_options_default_number_of_iterations>` is set
-in the main :ref:`yaml-options-head` block, then that number is used instead. See that description for more information
+in the main :ref:`yaml-options-head` block, then that number is used instead. See that description for more information.
 
 ``{SamplerOptions}`` denotes an optional set of sampler-specific options that can individually be specified if user
 desires to override defaults. The ``MultiStateSampler`` is the base class for all other samples and options which

diff --git a/setup.py b/setup.py
@@ -11,7 +11,7 @@
 ########################
 VERSION = "0.25.0"  # Primary base version of the build
 DEVBUILD = None  # Dev build status, Either None or Integer
-ISRELEASED = False  # Are we releasing this as a full cut?
+ISRELEASED = True  # Are we releasing this as a full cut?
 __version__ = VERSION
 ########################
 CLASSIFIERS = """\