mirror of
https://github.com/openmm/openmm
synced 2026-06-03 06:39:48 +09:00
47 lines
1.4 KiB
Bash
Executable File
47 lines
1.4 KiB
Bash
Executable File
#!/bin/bash
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# Build script for Linux distribution, for use in automated packaging.
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# Note that this must be run from outside the checked-out openmm/ directory.
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# Set relative workspace path.
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export WORKSPACE=`pwd`
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# Add conda binaries to path.
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PATH=$WORKSPACE/miniconda/bin:$PATH
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INSTALL=`pwd`/install
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if [ -e $INSTALL ]; then
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rm -rf $INSTALL
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fi
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CMAKE_FLAGS="-DCMAKE_INSTALL_PREFIX=$INSTALL"
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# setting the rpath so that libOpenMMPME.so finds the right libfftw3
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#CMAKE_FLAGS+=" -DCMAKE_INSTALL_RPATH=.."
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CMAKE_FLAGS+=" -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_COMPILER=clang++"
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CMAKE_FLAGS+=" -DCUDA_CUDART_LIBRARY=/usr/local/cuda-7.0/lib64/libcudart.so"
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CMAKE_FLAGS+=" -DCUDA_NVCC_EXECUTABLE=/usr/local/cuda-7.0/bin/nvcc"
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CMAKE_FLAGS+=" -DCUDA_SDK_ROOT_DIR=/usr/local/cuda-7.0/"
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CMAKE_FLAGS+=" -DCUDA_TOOLKIT_INCLUDE=/usr/local/cuda-7.0/include"
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CMAKE_FLAGS+=" -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-7.0/"
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CMAKE_FLAGS+=" -DOPENCL_INCLUDE_DIR=/opt/AMDAPPSDK-2.9-1/include/"
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CMAKE_FLAGS+=" -DOPENCL_LIBRARY=/opt/AMDAPPSDK-2.9-1/lib/x86_64/libOpenCL.so"
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# Set location for FFTW3
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PREFIX="$WORKSPACE/miniconda"
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CMAKE_FLAGS+=" -DFFTW_INCLUDES=$PREFIX/include"
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CMAKE_FLAGS+=" -DFFTW_LIBRARY=$PREFIX/lib/libfftw3f.so"
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CMAKE_FLAGS+=" -DFFTW_THREADS_LIBRARY=$PREFIX/lib/libfftw3f_threads.so"
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# Build in subdirectory.
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if [ -e build ]; then
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rm -rf build
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fi
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mkdir build
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cd build
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cmake ../openmm $CMAKE_FLAGS
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make -j4 all DoxygenApiDocs sphinxpdf
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# Install.
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make install
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