# adapted from http://conda.pydata.org/docs/travis.html language: generic # build matrices matrix: include: - os: linux dist: xenial env: CONDA_PYTHON_VERSION=3.6 - os: osx osx_image: xcode8.3 env: CONDA_PYTHON_VERSION=3.6 addons: apt: packages: - swig before_install: # download and install miniconda - echo "*************************************************" - echo "Building for $TRAVIS_OS_NAME" - echo " for Python $CONDA_PYTHON_VERSION" - export PYMAJOR="3"; - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then wget http://repo.continuum.io/miniconda/Miniconda$PYMAJOR-4.5.11-Linux-x86_64.sh -O miniconda.sh; fi - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then wget http://repo.continuum.io/miniconda/Miniconda$PYMAJOR-4.5.11-MacOSX-x86_64.sh -O miniconda.sh; fi - bash miniconda.sh -b -p $HOME/conda - export PATH="$HOME/conda/bin:$PATH" - hash -r - conda config --set always_yes yes --set changeps1 no - conda update -q conda # Useful for debugging any issues with conda - conda info -a install: - echo "INSTALL CONDA" # (don't install conda compiler tools on linux -- this is gcc 4.8 right now) #- if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then conda install gcc_linux-64 gcc_linux-64 ; fi #- if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then conda install -q -c rdkit boost=1.63; fi - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then conda install -q py-boost=1.67.0 libboost=1.67.0 ; fi - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then conda install -q py-boost=1.65.1 libboost=1.65.1 ; fi - conda install -q numpy pillow pandas cmake eigen # matplotlib before_script: # RDKit - echo "BEFORE SCRIPT" - export RDBASE=`pwd` - echo $RDBASE - export PYTHONPATH=${RDBASE} - export LD_LIBRARY_PATH=${RDBASE}/lib - export DYLD_FALLBACK_LIBRARY_PATH=${RDBASE}/lib - export PYTHON=`which python` - echo $PYTHON - export PY_PREFIX=`$PYTHON -c "import sys; print(sys.prefix)"` - echo $PY_PREFIX - export PY_SP_DIR=$PY_PREFIX/lib/python$CONDA_PYTHON_VERSION/site-packages - echo $PY_SP_DIR script: - echo "SCRIPT" - cd $RDBASE - mkdir build - cd build - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then export CXX="g++" ; fi - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then export CC="gcc" ; fi - cmake $REGEX_EXTRA -D PYTHON_EXECUTABLE=$PYTHON -D BOOST_ROOT=$PY_PREFIX -D Boost_NO_SYSTEM_PATHS=ON -D RDK_BUILD_AVALON_SUPPORT=ON -D RDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_THREADSAFE_SSS=on -DRDK_TEST_MULTITHREADED=on -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_SWIG_WRAPPERS=OFF -DRDK_SWIG_STATIC=OFF -DRDK_BUILD_PYTHON_WRAPPERS=ON -DRDK_BUILD_FREESASA_SUPPORT=ON .. - make -j2 install - ls "$PY_PREFIX/lib" - LD_LIBRARY_PATH="$PY_PREFIX/lib:$PREFIX/lib;$SRC_DIR/lib;$LD_LIBRARY_PATH" ctest -j2 --output-on-failure