Added appveyor support scripts and binstar badge.

README.md

@@ -1,7 +1,7 @@
 [![Linux Build Status](https://travis-ci.org/choderalab/openmmtools.png?branch=master)](https://travis-ci.org/choderalab/openmmtools)
-<!--- [![Windows Build status](https://ci.appveyor.com/api/projects/status/80ov9tdffg5jkr7i/branch/master)](https://ci.appveyor.com/project/rmcgibbo/mdtraj-813/branch/master) -->
+[![Windows Build status](https://ci.appveyor.com/api/projects/status/80ov9tdffg5jkr7i/branch/master)](https://ci.appveyor.com/project/rmcgibbo/mdtraj-813/branch/master)
 <!--- [![PyPI Version](https://badge.fury.io/py/openmmtools.png)](https://pypi.python.org/pypi/openmmtools) -->
-<!--- [![Binstar Badge](https://binstar.org/omnia/openmmtools/badges/version.svg)](https://binstar.org/omnia/openmmtools) -->
+[![Binstar Badge](https://binstar.org/omnia/openmmtools/badges/version.svg)](https://binstar.org/omnia/openmmtools)
 <!--- [![Downloads](https://pypip.in/d/mdtraj/badge.png)](https://pypi.python.org/pypi/openmmtools) -->
 
 # Various Python tools for OpenMM

appveyor.yml

@@ -0,0 +1,37 @@
+environment:
+  global:
+    # SDK v7.0 MSVC Express 2008's SetEnv.cmd script will fail if the
+    # /E:ON and /V:ON options are not enabled in the batch script intepreter
+    # See: http://stackoverflow.com/a/13751649/163740
+    CMD_IN_ENV: "cmd /E:ON /V:ON /C .\\devtools\\appveyor\\run_with_env.cmd"
+
+  matrix:
+    - PYTHON: "C:\\Python27_64"
+      PYTHON_VERSION: "2.7"
+      PYTHON_ARCH: "64"
+      CONDA_PY: "27"
+      CONDA_NPY: "19"
+
+    - PYTHON: "C:\\Python33_64"
+      PYTHON_VERSION: "3.3"
+      PYTHON_ARCH: "64"
+      CONDA_PY: "33"
+      CONDA_NPY: "19"
+
+    - PYTHON: "C:\\Python34_64"
+      PYTHON_VERSION: "3.4"
+      PYTHON_ARCH: "64"
+      CONDA_PY: "34"
+      CONDA_NPY: "19"
+
+install:
+  # this installs the appropriate Miniconda (Py2/Py3, 32/64 bit),
+  # as well as pip, conda-build, and the binstar CLI
+  - ps: . ".\\devtools\\appveyor\\install.ps1"
+  - "SET PATH=%PYTHON%;%PYTHON%\\Scripts;%PATH%"
+  - conda config --add channels http://conda.binstar.org/omnia
+
+build: false
+
+test_script:
+  - "%CMD_IN_ENV% conda build --quiet devtools\\conda-recipe"

devtools/appveyor/install.ps1

@@ -0,0 +1,96 @@
+# Sample script to install Miniconda under Windows
+# Authors: Olivier Grisel, Jonathan Helmus and Kyle Kastner, Robert McGibbon
+# License: CC0 1.0 Universal: http://creativecommons.org/publicdomain/zero/1.0/
+
+$MINICONDA_URL = "http://repo.continuum.io/miniconda/"
+
+
+function DownloadMiniconda ($python_version, $platform_suffix) {
+    $webclient = New-Object System.Net.WebClient
+    if ($python_version -match "3.4") {
+        $filename = "Miniconda3-3.7.3-Windows-" + $platform_suffix + ".exe"
+    } else {
+        $filename = "Miniconda-3.7.3-Windows-" + $platform_suffix + ".exe"
+    }
+    $url = $MINICONDA_URL + $filename
+
+    $basedir = $pwd.Path + "\"
+    $filepath = $basedir + $filename
+    if (Test-Path $filename) {
+        Write-Host "Reusing" $filepath
+        return $filepath
+    }
+
+    # Download and retry up to 3 times in case of network transient errors.
+    Write-Host "Downloading" $filename "from" $url
+    $retry_attempts = 2
+    for($i=0; $i -lt $retry_attempts; $i++){
+        try {
+            $webclient.DownloadFile($url, $filepath)
+            break
+        }
+        Catch [Exception]{
+            Start-Sleep 1
+        }
+   }
+   if (Test-Path $filepath) {
+       Write-Host "File saved at" $filepath
+   } else {
+       # Retry once to get the error message if any at the last try
+       $webclient.DownloadFile($url, $filepath)
+   }
+   return $filepath
+}
+
+
+function InstallMiniconda ($python_version, $architecture, $python_home) {
+    Write-Host "Installing Python" $python_version "for" $architecture "bit architecture to" $python_home
+    if (Test-Path $python_home) {
+        Write-Host $python_home "already exists, skipping."
+        return $false
+    }
+    if ($architecture -match "32") {
+        $platform_suffix = "x86"
+    } else {
+        $platform_suffix = "x86_64"
+    }
+
+    $filepath = DownloadMiniconda $python_version $platform_suffix
+    Write-Host "Installing" $filepath "to" $python_home
+    $install_log = $python_home + ".log"
+    $args = "/S /D=$python_home"
+    Write-Host $filepath $args
+    Start-Process -FilePath $filepath -ArgumentList $args -Wait
+    if (Test-Path $python_home) {
+        Write-Host "Python $python_version ($architecture) installation complete"
+    } else {
+        Write-Host "Failed to install Python in $python_home"
+        Get-Content -Path $install_log
+        Exit 1
+    }
+}
+
+
+function InstallCondaPackages ($python_home, $spec) {
+    $conda_path = $python_home + "\Scripts\conda.exe"
+    $args = "install --yes --quiet $spec"
+    Write-Host ("conda " + $args)
+    Start-Process -FilePath "$conda_path" -ArgumentList $args -Wait
+}
+
+function UpdateConda ($python_home) {
+    $conda_path = $python_home + "\Scripts\conda.exe"
+    Write-Host "Updating conda..."
+    $args = "update --yes --quiet conda"
+    Write-Host $conda_path $args
+    Start-Process -FilePath "$conda_path" -ArgumentList $args -Wait
+}
+
+
+function main () {
+    InstallMiniconda $env:PYTHON_VERSION $env:PYTHON_ARCH $env:PYTHON
+    UpdateConda $env:PYTHON
+    InstallCondaPackages $env:PYTHON "conda-build pip jinja2 binstar"
+}
+
+main

devtools/appveyor/run_with_env.cmd

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+:: To build extensions for 64 bit Python 3, we need to configure environment
+:: variables to use the MSVC 2010 C++ compilers from GRMSDKX_EN_DVD.iso of:
+:: MS Windows SDK for Windows 7 and .NET Framework 4 (SDK v7.1)
+::
+:: To build extensions for 64 bit Python 2, we need to configure environment
+:: variables to use the MSVC 2008 C++ compilers from GRMSDKX_EN_DVD.iso of:
+:: MS Windows SDK for Windows 7 and .NET Framework 3.5 (SDK v7.0)
+::
+:: 32 bit builds do not require specific environment configurations.
+::
+:: Note: this script needs to be run with the /E:ON and /V:ON flags for the
+:: cmd interpreter, at least for (SDK v7.0)
+::
+:: More details at:
+:: https://github.com/cython/cython/wiki/64BitCythonExtensionsOnWindows
+:: http://stackoverflow.com/a/13751649/163740
+::
+:: Author: Olivier Grisel
+:: License: CC0 1.0 Universal: http://creativecommons.org/publicdomain/zero/1.0/
+@ECHO OFF
+
+SET COMMAND_TO_RUN=%*
+SET WIN_SDK_ROOT=C:\Program Files\Microsoft SDKs\Windows
+
+SET MAJOR_PYTHON_VERSION="%PYTHON_VERSION:~0,1%"
+IF %MAJOR_PYTHON_VERSION% == "2" (
+    SET WINDOWS_SDK_VERSION="v7.0"
+) ELSE IF %MAJOR_PYTHON_VERSION% == "3" (
+    SET WINDOWS_SDK_VERSION="v7.1"
+) ELSE (
+    ECHO Unsupported Python version: "%MAJOR_PYTHON_VERSION%"
+    EXIT 1
+)
+
+IF "%PYTHON_ARCH%"=="64" (
+    ECHO Configuring Windows SDK %WINDOWS_SDK_VERSION% for Python %MAJOR_PYTHON_VERSION% on a 64 bit architecture
+    SET DISTUTILS_USE_SDK=1
+    SET MSSdk=1
+    "%WIN_SDK_ROOT%\%WINDOWS_SDK_VERSION%\Setup\WindowsSdkVer.exe" -q -version:%WINDOWS_SDK_VERSION%
+    "%WIN_SDK_ROOT%\%WINDOWS_SDK_VERSION%\Bin\SetEnv.cmd" /x64 /release
+    ECHO Executing: %COMMAND_TO_RUN%
+    call %COMMAND_TO_RUN% || EXIT 1
+) ELSE (
+    ECHO Using default MSVC build environment for 32 bit architecture
+    ECHO Executing: %COMMAND_TO_RUN%
+    call %COMMAND_TO_RUN% || EXIT 1
+)