mirror of
https://github.com/rdkit/rdkit.git
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40 lines
743 B
Bash
Executable File
40 lines
743 B
Bash
Executable File
#!/bin/bash
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# create binary *.deb packages
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#set -x # DEBUG
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mkdir -p build
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cd build
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cmake \
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-DPYTHON_EXECUTABLE=/usr/bin/python3 \
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-DRDK_INSTALL_INTREE=OFF \
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-DRDK_BUILD_INCHI_SUPPORT=ON \
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-DRDK_BUILD_AVALON_SUPPORT=ON \
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-DRDK_BUILD_PYTHON_WRAPPERS=ON \
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-DCMAKE_INSTALL_PREFIX=/usr \
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../
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nprocs=`getconf _NPROCESSORS_ONLN`
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make -j $nprocs
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cpack -G DEB
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# # to install all necessary dependencies on Ubuntu
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#sudo apt install -y \
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# curl \
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# wget \
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# libboost-all-dev \
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# cmake \
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# git \
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# g++ \
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# libeigen3-dev \
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# python3 \
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# libpython3-all-dev \
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# python3-numpy \
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# python3-pip \
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# python3-pil \
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# python3-six \
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# python3-pandas
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# # to install the freshly built rdkit packages
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# sudo dpkg -i *.deb
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