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