[openmm] 7.4.2 rc

appveyor.yml

@@ -2,7 +2,7 @@ os: Visual Studio 2015
 
 branches:
   only:
-  - master
+    - master
 
 environment:
   global:
@@ -17,45 +17,58 @@ environment:
     - PYTHON: "C:\\Miniconda"
       CONDA_PY: "27"
       PYTHON_VERSION: "2.7.x"
+      PYTHON_VERSION_SHORT: "2.7"
       PYTHON_ARCH: "32"
 
     - PYTHON: "C:\\Miniconda-x64"
       CONDA_PY: "27"
       PYTHON_VERSION: "2.7.x"
+      PYTHON_VERSION_SHORT: "2.7"
       PYTHON_ARCH: "64"
 
     - PYTHON: "C:\\Miniconda3"
       CONDA_PY: "35"
       PYTHON_VERSION: "3.5.x"
+      PYTHON_VERSION_SHORT: "3.5"
       PYTHON_ARCH: "32"
 
     - PYTHON: "C:\\Miniconda3-x64"
       CONDA_PY: "35"
       PYTHON_VERSION: "3.5.x"
+      PYTHON_VERSION_SHORT: "3.5"
       PYTHON_ARCH: "64"
 
     - PYTHON: "C:\\Miniconda3"
       CONDA_PY: "35"
       PYTHON_VERSION: "3.5.x"
+      PYTHON_VERSION_SHORT: "3.5"
       PYTHON_ARCH: "32"
 
     - PYTHON: "C:\\Miniconda3-x64"
       CONDA_PY: "36"
       PYTHON_VERSION: "3.6.x"
+      PYTHON_VERSION_SHORT: "3.6"
       PYTHON_ARCH: "64"
 
     - PYTHON: "C:\\Miniconda3-x64"
       CONDA_PY: "37"
       PYTHON_VERSION: "3.7.x"
-      PYTHON_ARCH: "67"
+      PYTHON_VERSION_SHORT: "3.7"
+      PYTHON_ARCH: "64"
+
+    - PYTHON: "C:\\Miniconda3-x64"
+      CONDA_PY: "38"
+      PYTHON_VERSION: "3.8.x"
+      PYTHON_VERSION_SHORT: "3.8"
+      PYTHON_ARCH: "64"
 
 install:
   - cmd: call .\\devtools\\appveyor\\install_cuda.cmd
   - "SET PATH=%PYTHON%;%PYTHON%\\Scripts;%PATH%"
   - conda update -yq --all
-  - conda install -yq conda==4.3.34 conda-build==2.1.17 jinja2 anaconda-client
   - conda config --add channels omnia
   - conda config --add channels conda-forge
+  - conda install -yq conda==4.3.34 conda-build==2.1.17 jinja2 anaconda-client python=%PYTHON_VERSION_SHORT%
   - powershell .\\devtools\\appveyor\\missing-headers.ps1
   # conda-build for some inane reason, effectively puts C:\cygwin\bin at the
   # front of the PATH, ahead of everything else, regardless. See

conda-build-all

@@ -95,7 +95,7 @@ def main():
         '--python',
         help="Set the Python version used by conda build",
         metavar="PYTHON_VER",
-        default='27,35,36,37',
+        default='27,35,36,37,38',
 
     )
     p.add_argument(

devtools/appveyor/install_cuda.cmd

@@ -34,7 +34,7 @@ exit /B 1
 )
 
 set PATH=%ProgramFiles%\NVIDIA GPU Computing Toolkit\CUDA\v10.0\bin;%ProgramFiles%\NVIDIA GPU Computing Toolkit\CUDA\v10.0\libnvvp;%PATH%
-set CUDA_VERSION="10.0"
-set CUDA_SHORT_VERSION="100"
+set CUDA_VERSION=10.0
+set CUDA_SHORT_VERSION=100
 
 nvcc -V

devtools/docker-build.sh

@@ -46,7 +46,7 @@ conda config --add channels omnia/label/rccuda${CUDA_SHORT_VERSION};
 #conda config --add channels omnia/label/dev
 #conda config --add channels omnia/label/devcuda${CUDA_SHORT_VERSION};
 
-for PY_BUILD_VERSION in "37" "36" "35" "27" ; do
+for PY_BUILD_VERSION in "38" "37" "36" "35" "27" ; do
     /io/conda-build-all -vvv --python $PY_BUILD_VERSION --check-against omnia/label/beta --check-against omnia/label/betacuda${CUDA_SHORT_VERSION} --check-against omnia/label/dev --check-against omnia/label/devcuda${CUDA_SHORT_VERSION} --numpy "1.15" $UPLOAD -- /io/*
 done
 

devtools/osx-build.sh

@@ -16,7 +16,8 @@ export MACOSX_DEPLOYMENT_TARGET="10.13"
 # Install Miniconda
 curl -s -O https://repo.continuum.io/miniconda/Miniconda3-4.6.14-MacOSX-x86_64.sh;
 bash Miniconda3-4.6.14-MacOSX-x86_64.sh -b -p $HOME/anaconda;
-export PATH=$HOME/anaconda/bin:$PATH;
+# export PATH=$HOME/anaconda/bin:$PATH;
+eval "$(${$HOME}/anaconda/condabin/conda shell.bash hook)";
 conda config --add channels conda-forge;
 conda config --add channels omnia;
 conda install -yq conda\<=4.3.34;
@@ -102,6 +103,6 @@ conda config --add channels omnia/label/betacuda${CUDA_SHORT_VERSION};
 #conda config --add channels omnia/label/devcuda${CUDA_SHORT_VERSION};
 
 #for PY_BUILD_VERSION in "27" "35" "36" "37"; do
-for PY_BUILD_VERSION in "37" "36" "35" "27"; do
+for PY_BUILD_VERSION in "38" "37" "36" "35" "27"; do
     ./conda-build-all -vvv --python $PY_BUILD_VERSION --check-against omnia/label/beta --check-against omnia/label/betacuda${CUDA_SHORT_VERSION} --check-against omnia/label/dev --check-against omnia/label/devcuda${CUDA_SHORT_VERSION} --numpy "1.15" $UPLOAD -- *
 done

openmm/meta.yaml

@@ -1,10 +1,10 @@
 package:
   name: openmm
-  version: 7.4.1
+  version: 7.4.2
 
 source:
-  git_url: https://github.com/pandegroup/openmm.git
-  git_tag: 7.4_branch
+  git_url: https://github.com/openmm/openmm.git
+  git_tag: dc9d188
 
   patches:
     - silent-cmake.patch

openmm/run_test.py

@@ -4,7 +4,7 @@
 
 # Check major version number
 # If Z=0 for version X.Y.Z, out put is "X.Y"
-assert openmm.Platform.getOpenMMVersion() == '7.4.1', "openmm.Platform.getOpenMMVersion() = %s" % openmm.Platform.getOpenMMVersion()
+assert openmm.Platform.getOpenMMVersion() == '7.4.2', "openmm.Platform.getOpenMMVersion() = %s" % openmm.Platform.getOpenMMVersion()
 
 # Check git hash
-assert openmm.version.git_revision == '068f120206160d5151c9af0baf810384bba8d052', "openmm.version.git_revision = %s" % openmm.version.git_revision
+assert openmm.version.git_revision == 'dc9d188939ad630d240e89806b185061f7cd661a', "openmm.version.git_revision = %s" % openmm.version.git_revision