Added first drafts of OS X build and packaging scripts.

devtools/packaging/scripts/osx/build.sh

+#!/bin/bash
+
+# Build script for Mac OS X distribution, for use in automated packaging.
+# Note that this must be run from outside the checked-out openmm/ directory.
+
+INSTALL=`pwd`/install
+CMAKE_FLAGS="-DCMAKE_INSTALL_PREFIX=$INSTALL"
+
+# setting the rpath so that libOpenMMPME.so finds the right libfftw3
+#CMAKE_FLAGS+=" -DCMAKE_INSTALL_RPATH=.."
+CMAKE_FLAGS+=" -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_COMPILER=clang++"
+CMAKE_FLAGS+=" -DCMAKE_OSX_DEPLOYMENT_TARGET=10.9"
+CMAKE_FLAGS+=" -DCMAKE_OSX_SYSROOT=/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX10.9.sdk"
+CMAKE_FLAGS+=" -DOPENMM_BUILD_OPENCL_LIB=OFF"
+CMAKE_FLAGS+=" -DOPENMM_BUILD_DRUDE_OPENCL_LIB=OFF"
+CMAKE_FLAGS+=" -DOPENMM_BUILD_RPMD_OPENCL_LIB=OFF"
+CMAKE_FLAGS+=" -DOPENMM_BUILD_OPENCL_TESTS=FALSE"
+CMAKE_FLAGS+=" -DOPENMM_BUILD_OPENCL_DOUBLE_PRECISION_TESTS=FALSE"
+
+# Build in subdirectory.
+# Set location for FFTW3
+PREFIX="${HOME}/miniconda"
+CMAKE_FLAGS+=" -DFFTW_INCLUDES=$PREFIX/include"
+CMAKE_FLAGS+=" -DFFTW_LIBRARY=$PREFIX/lib/libfftw3f.so"
+CMAKE_FLAGS+=" -DFFTW_THREADS_LIBRARY=$PREFIX/lib/libfftw3f_threads.so"
+
+mkdir build
+cd build
+cmake ../openmm $CMAKE_FLAGS
+make -j4
+make install
+
+# Install Python wrappers.
+export OPENMM_INCLUDE_PATH=$INSTALL/include
+export OPENMM_LIB_PATH=$INSTALL/lib
+cd python
+$PYTHON setup.py install --prefix=$INSTALL
+cd ..
+
+# Copy all tests to bin directory so they will be distributed with install package.
+#cp `find . -name "Test*" -type f -maxdepth 1` $PREFIX/bin

devtools/packaging/scripts/osx/package.sh

+#!/bin/bash
+
+# Packaging script for Mac OS X distribution, for use in automated packaging.
+# Note that this must be run from outside the checked-out openmm/ directory.
+
+# CONFIGURE HERE
+export PACKAGE_DIR="packaging" # directory to stuff packaged source distribution
+export VERSION=$(sed -nr "s/OPENMM_VERSION:STRING=(.*)/\1/p" build/CMakeCache.txt)
+export PACKAGE_SUBDIR="OpenMM-${VERSION}-Mac" # directory where distribution will be unpacked
+export DISTRO_PREFIX="OpenMM-${VERSION}-Mac" # prefix for source distribution (e.g. ${DISTRIBUTION_NAME}.zip)
+
+# Clean up.
+rm -rf $PACKAGE_DIR
+
+# Make a directory to contain packaged source distribution
+mkdir $PACKAGE_DIR
+mkdir $PACKAGE_DIR/$PACKAGE_SUBDIR
+for filename in $( cat openmm/devtools/packaging/manifests/binary/manifest.txt ); do
+   CMD="cp -r install/$filename $PACKAGE_DIR/$PACKAGE_SUBDIR"
+   echo $CMD
+   `$CMD`
+done
+
+# Add the install.sh script
+CMD="cp -r openmm/install.sh $PACKAGE_DIR/$PACKAGE_SUBDIR"
+echo $CMD
+`$CMD`
+
+# Make Python source distribution.
+echo "Building Python source distribution..."
+cd build
+make PythonSdist
+cd python/dist 
+tar zxf OpenMM-${VERSION}.tar.gz
+mv OpenMM-${VERSION} python
+cd ../../..
+cp -r build/python/dist/python $PACKAGE_DIR/$PACKAGE_SUBDIR
+
+# Create archives.
+cd $PACKAGE_DIR
+mkdir compressed
+tar zcf compressed/${DISTRO_PREFIX}.tgz $PACKAGE_SUBDIR
+zip -r compressed/${DISTRO_PREFIX}.zip $PACKAGE_SUBDIR
+cd ..