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openmm/.travis.yml
Peter Eastman e53bdc5eab Top level Python module is now "openmm" (#3000) 
* Top level Python module is now "openmm"

* Updated module names in examples

* Updated module names in documentation

* Updated module in CI scripts

* Added deprecation warning
2021-02-01 09:40:37 -08:00

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language: python
addons:
apt:
packages:
- doxygen
- python-numpy
- python-scipy
- libfftw3-dev
env:
global:
- CCACHE=$HOME/ccache/lib/ccache/bin
jobs:
include:
- sudo: required
dist: xenial
name: "CPU OpenCL"
env: OPENCL=true
CUDA=false
CC=$CCACHE/gcc
CXX=$CCACHE/g++
CMAKE_FLAGS="
-OPENMM_BUILD_OPENCL_LIB=ON
-DOPENMM_BUILD_OPENCL_TESTS=ON
-DOPENMM_BUILD_STATIC_LIB=OFF
-DOPENMM_BUILD_CPU_LIB=OFF
-DOPENMM_BUILD_REFERENCE_TESTS=OFF
-DOPENMM_BUILD_SERIALIZATION_TESTS=OFF
-DOPENMM_BUILD_PME_PLUGIN=OFF
-DOPENMM_BUILD_AMOEBA_PLUGIN=OFF
-DOPENMM_BUILD_PYTHON_WRAPPERS=OFF
-DOPENMM_BUILD_C_AND_FORTRAN_WRAPPERS=OFF
-DOPENMM_BUILD_EXAMPLES=OFF
-DOPENCL_INCLUDE_DIR=$HOME/AMDAPPSDK/include
-DOPENCL_LIBRARY=$HOME/AMDAPPSDK/lib/x86_64/libOpenCL.so"
addons: {apt: {packages: []}}
- sudo: required
dist: xenial
name: "CUDA Compile"
env: CUDA=true
OPENCL=false
CUDA_VERSION="7.5-18"
CC=$CCACHE/gcc
CXX=$CCACHE/g++
CMAKE_FLAGS="
-DOPENMM_BUILD_CUDA_TESTS=OFF
-DOPENMM_BUILD_OPENCL_TESTS=OFF
-DOPENMM_BUILD_PYTHON_WRAPPERS=OFF
-DOPENMM_BUILD_REFERENCE_TESTS=OFF
-DOPENMM_BUILD_SERIALIZATION_TESTS=OFF
-DOPENMM_BUILD_C_AND_FORTRAN_WRAPPERS=OFF
-DOPENMM_BUILD_EXAMPLES=OFF
-DOPENCL_LIBRARY=/usr/local/cuda-7.5/lib64/libOpenCL.so
-DCUDA_CUDART_LIBRARY=/usr/local/cuda-7.5/lib64/libcudart.so
-DCUDA_NVCC_EXECUTABLE=/usr/local/cuda-7.5/bin/nvcc
-DCUDA_SDK_ROOT_DIR=/usr/local/cuda-7.5/
-DCUDA_TOOLKIT_INCLUDE=/usr/local/cuda-7.5/include
-DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-7.5/"
addons: {apt: {packages: []}}
- language: objective-c
os: osx
osx_image: xcode9.3
name: "Mac OS"
env: OPENCL=false
CUDA=false
CMAKE_FLAGS="
-DOPENMM_BUILD_OPENCL_TESTS=OFF"
addons: {apt: {packages: []}}
- sudo: false
dist: xenial
python: "3.6"
name: "Static Lib"
env: OPENCL=false
CUDA=false
CC=$CCACHE/clang
CXX=$CCACHE/clang++
CMAKE_FLAGS="-DOPENMM_BUILD_STATIC_LIB=ON"
- sudo: false
dist: xenial
python: "3.6"
name: "Python 3.6"
env: OPENCL=false
CUDA=false
CC=$CCACHE/clang
CXX=$CCACHE/clang++
DOCS_DEPLOY=true
CMAKE_FLAGS="-DOPENMM_GENERATE_API_DOCS=ON"
- sudo: false
dist: xenial
python: "3.8"
name: "Python 3.8"
env: OPENCL=false
CUDA=false
CC=$CCACHE/gcc
CXX=$CCACHE/g++
CMAKE_FLAGS=""
- sudo: required
dist: bionic
python: "3.8"
name: "PPC"
arch: ppc64le
env: OPENCL=false
CUDA=false
CMAKE_FLAGS=""
- sudo: required
dist: bionic
python: "3.8"
name: "ARM"
arch: arm64
env: OPENCL=false
CUDA=false
CMAKE_FLAGS=""
before_install:
- START_TIME=$(date +%s)
- wget http://anaconda.org/omnia/ccache/3.2.4/download/${TRAVIS_OS_NAME}-64/ccache-3.2.4-0.tar.bz2
- mkdir -p $HOME/ccache && tar xf ccache-3.2.4-0.tar.bz2 -C $HOME/ccache
- if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then
brew cask uninstall oclint;
brew install fftw;
brew upgrade python;
brew install -y https://raw.githubusercontent.com/Homebrew/homebrew-core/5b680fb58fedfb00cd07a7f69f5a621bb9240f3b/Formula/doxygen.rb;
pip3 install virtualenv;
virtualenv -p python3 ~/venv;
source ~/venv/bin/activate;
sudo pip install -U pytest numpy --ignore-installed six;
fi
# The cmake version installed by apt on ARM and PPC is very old,
# so download a newer version.
- if [[ "${TRAVIS_CPU_ARCH}" == "ppc64le" ]]; then
sudo apt-get install libuv1 rhash libstdc++6;
wget https://anaconda.org/conda-forge/cmake/3.17.0/download/linux-ppc64le/cmake-3.17.0-hfb1cb51_0.tar.bz2;
mkdir $HOME/cmake;
tar -xjvf cmake-3.17.0-hfb1cb51_0.tar.bz2 -C $HOME/cmake;
export PATH=$HOME/cmake/bin:$PATH;
fi
- if [[ "${TRAVIS_CPU_ARCH}" == "arm64" ]]; then
sudo apt-get install libuv1 rhash libstdc++6;
wget https://anaconda.org/conda-forge/cmake/3.17.0/download/linux-aarch64/cmake-3.17.0-h28c56e5_0.tar.bz2;
mkdir $HOME/cmake;
tar -xjvf cmake-3.17.0-h28c56e5_0.tar.bz2 -C $HOME/cmake;
export PATH=$HOME/cmake/bin:$PATH;
fi
- if [[ "$OPENCL" == "true" ]]; then
wget http://s3.amazonaws.com/omnia-ci/AMD-APP-SDKInstaller-v3.0.130.135-GA-linux64.tar.bz2;
tar -xjf AMD-APP-SDK*.tar.bz2;
AMDAPPSDK=${HOME}/AMDAPPSDK;
export OPENCL_VENDOR_PATH=${AMDAPPSDK}/etc/OpenCL/vendors;
mkdir -p ${OPENCL_VENDOR_PATH};
sh AMD-APP-SDK*.sh --tar -xf -C ${AMDAPPSDK};
echo libamdocl64.so > ${OPENCL_VENDOR_PATH}/amdocl64.icd;
export LD_LIBRARY_PATH=${AMDAPPSDK}/lib/x86_64:${LD_LIBRARY_PATH};
chmod +x ${AMDAPPSDK}/bin/x86_64/clinfo;
${AMDAPPSDK}/bin/x86_64/clinfo;
sudo apt-get install -y libgl1-mesa-dev;
fi
# Install packages needed for Python: SWIG, Cython, and Gromacs (used by some tests).
# We do this differently on different platforms. Possibly some of this could be unified.
- if [[ "$OPENCL" == "false" && "$CUDA" == "false" && "$TRAVIS_OS_NAME" == "linux" && "${TRAVIS_CPU_ARCH}" != "ppc64le" && "${TRAVIS_CPU_ARCH}" != "arm64" ]]; then
wget http://anaconda.org/omnia/swig/3.0.7/download/linux-64/swig-3.0.7-0.tar.bz2;
mkdir $HOME/swig;
tar -xjvf swig-3.0.7-0.tar.bz2 -C $HOME/swig;
export PATH=$HOME/swig/bin:$PATH;
export SWIG_LIB=$HOME/swig/share/swig/3.0.7;
pip install cython;
sudo apt-get install gromacs;
fi
- if [[ "${TRAVIS_CPU_ARCH}" == "ppc64le" || "${TRAVIS_CPU_ARCH}" == "arm64" ]]; then
sudo apt-get install swig;
pip install cython;
fi
- if [[ "$OPENCL" == "false" && "$CUDA" == "false" && "$TRAVIS_OS_NAME" == "osx" ]]; then
wget http://anaconda.org/omnia/swig/3.0.7/download/osx-64/swig-3.0.7-0.tar.bz2;
mkdir $HOME/swig;
tar -xjvf swig-3.0.7-0.tar.bz2 -C $HOME/swig;
export PATH=$HOME/swig/bin:$PATH;
export SWIG_LIB=$HOME/swig/share/swig/3.0.7;
sudo pip install cython;
fi
- if [[ "$CUDA" == "true" ]]; then
wget "http://developer.download.nvidia.com/compute/cuda/repos/ubuntu1404/x86_64/cuda-repo-ubuntu1404_${CUDA_VERSION}_amd64.deb";
sudo dpkg -i cuda-repo-ubuntu1404_${CUDA_VERSION}_amd64.deb;
sudo apt-get update -qq;
export CUDA_APT=${CUDA_VERSION%-*};
export CUDA_APT=${CUDA_APT/./-};
sudo apt-get install -y cuda-drivers cuda-core-${CUDA_APT} cuda-cudart-dev-${CUDA_APT} cuda-cufft-dev-${CUDA_APT};
sudo apt-get clean;
export CUDA_HOME=/usr/local/cuda-${CUDA_VERSION%%-*};
export LD_LIBRARY_PATH=${CUDA_HOME}/lib64:${LD_LIBRARY_PATH};
export PATH=${CUDA_HOME}/bin:${PATH};
sudo apt-get install -y libgl1-mesa-dev;
fi
script:
- cmake . $CMAKE_FLAGS -DCMAKE_INSTALL_PREFIX=$HOME/OpenMM
- make -j2 install
- if [[ "$OPENCL" == "true" ]]; then ./TestOpenCLDeviceQuery; fi
- if [[ "$OPENCL" == "false" && "$CUDA" == "false" ]]; then
if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then
sudo make PythonInstall;
else
make PythonInstall;
fi;
python -m openmm.testInstallation;
(cd python/tests && py.test -v);
fi
# Run the tests, and rerun any failing tests.
- python devtools/run-ctest.py --start-time $START_TIME
- if [[ ! -z "${DOCS_DEPLOY}" && "${DOCS_DEPLOY}" = "true" ]]; then
pip install sphinx==2.3.1 sphinxcontrib-bibtex sphinxcontrib-lunrsearch sphinxcontrib-autodoc_doxygen;
make sphinxhtml;
make sphinxpdf;
make C++ApiDocs PythonApiDocs;
mkdir -p api-docs;
mv sphinx-docs/userguide/html api-docs/userguide;
mv sphinx-docs/developerguide/html api-docs/developerguide;
mv api-python api-docs;
mv api-c++ api-docs;
fi
deploy:
- provider: s3
access_key_id:
secure: "OEY0sp5FlM4kixFNVAktN6YHwKm5ieMswWCHj3MU+rWsAeGCULl/0kyKTfwCPknVlQv+SXBaPP3I4m1fv9FwHt0bbwy5EfmO4crrW8cE4ofq4vnwHi9UG77oEKKRrbxFUZD1y7ywI2W9SyVI6qfggZlJowRy9GV9Lin5vGzhqsw="
secret_access_key:
secure: "P7DOYn77bH5Gg1obIwCxanhH0Kgh22Pv1pCGvmI6gHXOE1dxf5pnCSQGFKO6g1K6eaN5TbTjh+BmMXmxgkqByvQ4uZtkTGlPq3HI9YeRjZE2H7bRpIYjXXRwA1RMOA3ofLDw1FXNmwMo8BtRIl4jljR5Iw5rytUZmLlk3zgtcr4="
bucket: "docs.openmm.org"
skip_cleanup: true
region: us-west-1
local_dir: api-docs/
upload_dir: development
on:
branch: master
condition: '! -z "${DOCS_DEPLOY}" && "${DOCS_DEPLOY}" = "true"'
cache:
directories:
- $HOME/.ccache
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