From 966df1a01049594ae619c62f7cacd782810ece5e Mon Sep 17 00:00:00 2001 From: Levi Naden Date: Fri, 7 Jul 2017 15:56:51 -0400 Subject: [PATCH] Release 0.16.2: Reduced Initial File Sizes * Automatic Expanded Cutoff Distance Selection * Compressed stored systems drastically reduce initial file sizes * Requires OpenMMTools 0.11.2, minimum version updated * Use C Yaml Dumper and Loaders to speed up YAML object processing --- devtools/conda-recipe/meta.yaml | 4 ++-- setup.py | 6 +++--- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/devtools/conda-recipe/meta.yaml b/devtools/conda-recipe/meta.yaml index 8e90d6fc..36a40945 100644 --- a/devtools/conda-recipe/meta.yaml +++ b/devtools/conda-recipe/meta.yaml @@ -19,7 +19,7 @@ requirements: - netcdf4 - openmm >=7.1 - mdtraj >=1.7.2 - - openmmtools >=0.10.0 + - openmmtools >=0.11.2 - pymbar - ambermini >=16.16.0 - docopt @@ -38,7 +38,7 @@ requirements: - netcdf4 - openmm >=7.1 - mdtraj >=1.7.2 - - openmmtools >=0.10.0 + - openmmtools >=0.11.2 - pymbar - ambermini >=16.16.0 - docopt diff --git a/setup.py b/setup.py index b6e8b191..422c2509 100644 --- a/setup.py +++ b/setup.py @@ -17,8 +17,8 @@ ######################## VERSION = "0.16.2" # Primary base version of the build -DEVBUILD = "0" # Dev build status, Either None or Integer as string -ISRELEASED = False # Are we releasing this as a full cut? +DEVBUILD = None # Dev build status, Either None or Integer as string +ISRELEASED = True # Are we releasing this as a full cut? __version__ = VERSION ######################## CLASSIFIERS = """\ @@ -146,7 +146,7 @@ def find_package_data(data_root, package_root): 'cython', 'openmm', 'pymbar', - 'openmmtools>=0.10.0', + 'openmmtools>=0.11.2', 'docopt>=0.6.1', 'netcdf4', 'schema',