Python records where OpenMM is installed, so it doesn't need to be specified...

Python records where OpenMM is installed, so it doesn't need to be specified with environment variables at runtime

CMakeLists.txt

@@ -111,6 +111,11 @@ IF (APPLE AND NOT CMAKE_OSX_DEPLOYMENT_TARGET)
     SET (CMAKE_OSX_DEPLOYMENT_TARGET "10.5" CACHE STRING "The minimum version of OS X to support" FORCE)
 ENDIF (APPLE AND NOT CMAKE_OSX_DEPLOYMENT_TARGET)
 
+# Improve the linking behavior of Mac libraries
+IF (APPLE)
+    SET (CMAKE_INSTALL_NAME_DIR "@rpath")
+ENDIF (APPLE)
+
 IF(UNIX AND NOT CMAKE_BUILD_TYPE)
     SET(CMAKE_BUILD_TYPE Release CACHE STRING "Debug or Release build" FORCE)
 ENDIF (UNIX AND NOT CMAKE_BUILD_TYPE)

wrappers/python/setup.py

@@ -85,6 +85,7 @@ version = '%(version)s'
 full_version = '%(full_version)s'
 git_revision = '%(git_revision)s'
 release = %(isrelease)s
+openmm_library_path = '%(path)s'
 
 if not release:
     version = full_version
@@ -113,7 +114,8 @@ if not release:
         a.write(cnt % {'version': version,
                        'full_version' : full_version,
                        'git_revision' : git_revision,
-                       'isrelease': str(IS_RELEASED)})
+                       'isrelease': str(IS_RELEASED),
+                       'path': os.getenv('OPENMM_LIB_PATH')})
     finally:
         a.close()
 
@@ -197,7 +199,7 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM,
             macVersion = [int(x) for x in platform.mac_ver()[0].split('.')]
             if tuple(macVersion) < (10, 6):
                 os.environ['MACOSX_DEPLOYMENT_TARGET']='10.5'
-            extra_link_args.append('-Wl,-rpath,@loader_path/OpenMM')
+            extra_link_args.append('-Wl,-rpath,'+openmm_lib_path)
 
 
     library_dirs=[openmm_lib_path]
@@ -209,6 +211,7 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM,
                  include_dirs = include_dirs,
                  define_macros = define_macros,
                  library_dirs = library_dirs,
+                 runtime_library_dirs = library_dirs,
                  libraries = libraries,
                  extra_compile_args=extra_compile_args,
                  extra_link_args=extra_link_args,
@@ -238,8 +241,8 @@ def main():
         uninstall()
     except:
         pass
-    writeVersionPy()
     setupKeywords=buildKeywordDictionary()
+    writeVersionPy()
     setup(**setupKeywords)
 
 if __name__ == '__main__':

wrappers/python/simtk/openmm/__init__.py

@@ -13,7 +13,7 @@ It also tries to load any plugin modules it can find.
 
 __author__ = "Randall J. Radmer"
 
-import os, sys, glob
+import os, sys, glob, os.path
 if sys.platform == "win32":
     libPrefix=""
     libExt="dll"
@@ -34,5 +34,9 @@ else:
 
 from simtk.openmm.openmm import *
 from simtk.openmm.vec3 import Vec3
-pluginLoadedLibNames = Platform.loadPluginsFromDirectory(Platform.getDefaultPluginsDirectory())
+from simtk.openmm import version
+if os.getenv('OPENMM_PLUGIN_DIR') is None:
+    pluginLoadedLibNames = Platform.loadPluginsFromDirectory(os.path.join(version.openmm_library_path, 'plugins'))
+else:
+    pluginLoadedLibNames = Platform.loadPluginsFromDirectory(Platform.getDefaultPluginsDirectory())
 __version__ = Platform.getOpenMMVersion()