Linux下安装RDKit 2019.09.2(记录)
【摘要】
yum install cmake3 tk-devel readline-devel zlib-devel bzip2-devel sqlite-devel cairo cairo-devel eigen3-devel
yum install cmake3 tk-devel readline-devel zlib-devel ...
yum install cmake3 tk-devel readline-devel zlib-devel bzip2-devel sqlite-devel cairo cairo-devel eigen3-devel
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yum install cmake3 tk-devel readline-devel zlib-devel bzip2-devel sqlite-devel
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yum provides pthread
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tar zxvf rdkit-Release_2019_09_2.tar.gz
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mv rdkit-Release_2019_09_2 rdkit
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cd rdkit
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mkdir build
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cd build
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cmake3 -DRDK_INSTALL_INTREE=OFF\
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-DCMAKE_INSTALL_PREFIX=/opt/rdkit2019\
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-DRDK_BUILD_INCHI_SUPPORT=ON\
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-DRDK_BUILD_AVALON_SUPPORT=ON\
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-DRDK_BUILD_CAIRO_SUPPORT=ON\
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-DRDK_BUILD_PYTHON_WRAPPERS=ON\
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-DRDK_BUILD_SWIG_WRAPPERS=OFF\
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..
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-D BOOST_ROOT=/usr/local/boost -D Boost_NO_SYSTEM_PATHS=ON
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cmake3 -DRDK_INSTALL_INTREE=OFF -DCMAKE_INSTALL_PREFIX=/opt/rdkit2019 -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_AVALON_SUPPORT=ON -DRDK_BUILD_CAIRO_SUPPORT=ON -DRDK_BUILD_PYTHON_WRAPPERS=ON -D PYTHON_EXECUTABLE=/usr/anaconda3/bin/python3 -D PYTHON_INCLUDE_DIR=/usr/anaconda3/include -DRDK_BUILD_SWIG_WRAPPERS=OFF -D BOOST_ROOT=/usr/local/boost -D Boost_NO_SYSTEM_PATHS=ON ..
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文章来源: drugai.blog.csdn.net,作者:DrugAI,版权归原作者所有,如需转载,请联系作者。
原文链接:drugai.blog.csdn.net/article/details/103706413
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