mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
6a36c87961
* unlikely to work * try using system boost also disable mac builds for the moment * yeah, can't use system boost; use conda instead * typo * switch to boost 1.67.0 1.65.1 causes failures with testEnumeration on linux * oops * re-enable mac builds
71 lines
2.7 KiB
YAML
71 lines
2.7 KiB
YAML
# adapted from http://conda.pydata.org/docs/travis.html
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language: generic
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# build matrices
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matrix:
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include:
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- os: linux
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dist: xenial
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env: CONDA_PYTHON_VERSION=3.6
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- os: osx
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osx_image: xcode8.3
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env: CONDA_PYTHON_VERSION=3.6
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addons:
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apt:
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packages:
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- swig
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before_install:
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# download and install miniconda
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- echo "*************************************************"
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- echo "Building for $TRAVIS_OS_NAME"
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- echo " for Python $CONDA_PYTHON_VERSION"
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- export PYMAJOR="3";
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- if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then wget http://repo.continuum.io/miniconda/Miniconda$PYMAJOR-4.5.11-Linux-x86_64.sh -O miniconda.sh; fi
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- if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then wget http://repo.continuum.io/miniconda/Miniconda$PYMAJOR-4.5.11-MacOSX-x86_64.sh -O miniconda.sh; fi
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- bash miniconda.sh -b -p $HOME/conda
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- export PATH="$HOME/conda/bin:$PATH"
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- hash -r
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- conda config --set always_yes yes --set changeps1 no
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- conda update -q conda
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# Useful for debugging any issues with conda
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- conda info -a
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install:
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- echo "INSTALL CONDA"
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# (don't install conda compiler tools on linux -- this is gcc 4.8 right now)
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#- if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then conda install gcc_linux-64 gcc_linux-64 ; fi
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#- if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then conda install -q -c rdkit boost=1.63; fi
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- if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then conda install -q py-boost=1.67.0 libboost=1.67.0 ; fi
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- if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then conda install -q py-boost=1.65.1 libboost=1.65.1 ; fi
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- conda install -q numpy pillow pandas cmake eigen # matplotlib
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before_script:
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# RDKit
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- echo "BEFORE SCRIPT"
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- export RDBASE=`pwd`
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- echo $RDBASE
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- export PYTHONPATH=${RDBASE}
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- export LD_LIBRARY_PATH=${RDBASE}/lib
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- export DYLD_FALLBACK_LIBRARY_PATH=${RDBASE}/lib
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- export PYTHON=`which python`
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- echo $PYTHON
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- export PY_PREFIX=`$PYTHON -c "import sys; print(sys.prefix)"`
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- echo $PY_PREFIX
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- export PY_SP_DIR=$PY_PREFIX/lib/python$CONDA_PYTHON_VERSION/site-packages
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- echo $PY_SP_DIR
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script:
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- echo "SCRIPT"
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- cd $RDBASE
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- mkdir build
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- cd build
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- if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then export CXX="g++" ; fi
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- if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then export CC="gcc" ; fi
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- cmake $REGEX_EXTRA -D PYTHON_EXECUTABLE=$PYTHON -D BOOST_ROOT=$PY_PREFIX -D Boost_NO_SYSTEM_PATHS=ON -D RDK_BUILD_AVALON_SUPPORT=ON -D RDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_THREADSAFE_SSS=on -DRDK_TEST_MULTITHREADED=on -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_SWIG_WRAPPERS=OFF -DRDK_SWIG_STATIC=OFF -DRDK_BUILD_PYTHON_WRAPPERS=ON -DRDK_BUILD_FREESASA_SUPPORT=ON ..
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- make -j2 install
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- ls "$PY_PREFIX/lib"
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- LD_LIBRARY_PATH="$PY_PREFIX/lib:$PREFIX/lib;$SRC_DIR/lib;$LD_LIBRARY_PATH" ctest -j2 --output-on-failure
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