Added start of automated conda packaging of openmm-dev.

tools/ci/after_sucess.sh

+echo $TRAVIS_PULL_REQUEST $TRAVIS_BRANCH
+
+if [[ "$TRAVIS_PULL_REQUEST" == "true" ]]; then
+    echo "This is a pull request. No deployment will be done."; exit 0
+fi
+
+
+if [[ "$TRAVIS_BRANCH" != "master" ]]; then
+    echo "No deployment on BRANCH='$TRAVIS_BRANCH'"; exit 0
+fi
+
+
+if [[ "2.7 3.3" =~ "$python" ]]; then
+    conda install --yes binstar
+    binstar -t $BINSTAR_TOKEN  upload --force -u omnia -p repex-dev $HOME/miniconda/conda-bld/linux-64/openmm-dev-*
+fi
+
+if [[ "$python" != "2.7" ]]; then
+    echo "No deploy on PYTHON_VERSION=${python}"; exit 0
+fi
+

tools/ci/install.sh

+sudo apt-get install -qq -y g++ gfortran csh
+sudo apt-get install -qq -y g++-multilib gcc-multilib
+wget http://repo.continuum.io/miniconda/Miniconda-3.0.5-Linux-x86_64.sh
+bash Miniconda-3.0.5-Linux-x86_64.sh -b
+PIP_ARGS="-U"
+
+export PATH=$HOME/miniconda/bin:$PATH
+
+conda update --yes conda
+conda config --add channels http://conda.binstar.org/omnia
+conda create --yes -n ${python} python=${python} --file tools/ci/requirements-conda.txt
+source activate $python
+$HOME/miniconda/envs/${python}/bin/pip install $PIP_ARGS pymbar==2.0.1-beta nose-exclude

tools/ci/requirements-conda.txt

+numpy
+cython
+pip
+nose

tools/conda-recipe/README.md

+This is a recipe for building the current development package into a conda binary.
+
+The installation on travis-ci is done by building the conda package, installing
+it, running the tests, and then if successful pushing the package to binstar
+(and the docs to AWS S3). The binstar auth token is an encrypted environment
+variable generated using:
+
+binstar auth -n openmm-travis -o omnia --max-age 22896000 -c --scopes api:write
+
+and then saved in the environment variable BINSTAR_TOKEN.
+
+You can set up travis to store an encrypted token via
+
+gem install travis travis encrypt BINSTAR_TOKEN=xx
+
+where xx is the token output by binstar. The final command should print a line (containing 'secure') for inclusion in your .travis.yml file.

tools/conda-recipe/build.sh

+#!/bin/bash
+
+CMAKE_FLAGS="-DCMAKE_INSTALL_PREFIX=$PREFIX"
+
+if [[ "$OSTYPE" == "linux-gnu" ]]; then
+    # 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+=" -DOPENCL_LIBRARY=/opt/AMDAPP/lib/x86_64/libOpenCL.so"
+
+elif [[ "$OSTYPE" == "darwin"* ]]; then
+    export MACOSX_DEPLOYMENT_TARGET="10.7"
+    CMAKE_FLAGS+=" -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_COMPILER=clang++"
+fi
+
+# Set location for FFTW3 on both linux and mac
+CMAKE_FLAGS+=" -DFFTW_INCLUDES=$PREFIX/include"
+if [[ "$OSTYPE" == "linux-gnu" ]]; then
+    CMAKE_FLAGS+=" -DFFTW_LIBRARY=$PREFIX/lib/libfftw3f.so"
+    CMAKE_FLAGS+=" -DFFTW_THREADS_LIBRARY=$PREFIX/lib/libfftw3f_threads.so"
+elif [[ "$OSTYPE" == "darwin"* ]]; then
+    CMAKE_FLAGS+=" -DFFTW_LIBRARY=$PREFIX/lib/libfftw3f.dylib"
+    CMAKE_FLAGS+=" -DFFTW_THREADS_LIBRARY=$PREFIX/lib/libfftw3f_threads.dylib"
+fi
+
+
+mkdir build
+cd build
+cmake .. $CMAKE_FLAGS
+make -j4
+make install
+
+export OPENMM_INCLUDE_PATH=$PREFIX/include
+export OPENMM_LIB_PATH=$PREFIX/lib
+cd python
+$PYTHON setup.py install
+
+# Remove one random file
+rm $PREFIX/bin/TestReferenceHarmonicBondForce
+

tools/conda-recipe/meta.yaml

+package:
+  name: openmm
+  version: !!str dev
+
+source:
+  url: https://github.com/SimTk/openmm/archive/6.0.tar.gz
+  fn: 6.0.tar.gz
+  patches:
+    - plugin-dir.patch
+
+build:
+  number: 3
+
+requirements:
+  build:
+    - cmake
+    - python
+    - fftw3f
+
+  run:
+    - python
+    - fftw3f
+
+about:
+  home: https://simtk.org/home/openmm
+  license: GPL