mirror of
https://github.com/rdkit/rdkit.git
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110 lines
3.6 KiB
Plaintext
110 lines
3.6 KiB
Plaintext
# Example usage of this Dockerfile:
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# (the --build-arg arguments are all optional)
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#
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# 1. cd to Code/MinimalLib/docker
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# cd Code/MinimalLib/docker
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#
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# 2. build the MinimalLib rdkit-minimallib-deps image:
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# docker build --target deps-stage -t rdkit-minimallib-deps \
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# --build-arg http_proxy=$HTTP_PROXY \
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# --build-arg https_proxy=$HTTP_PROXY \
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# --network=host --build-arg "EXCEPTION_HANDLING=-fwasm-exceptions" \
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# -f Dockerfile_1_deps .
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ARG EMSDK_VERSION="latest"
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ARG EXCEPTION_HANDLING="-fexceptions -sNO_DISABLE_EXCEPTION_CATCHING"
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ARG BOOST_MAJOR_VERSION="1"
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ARG BOOST_MINOR_VERSION="87"
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ARG BOOST_PATCH_VERSION="0"
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ARG BOOST_DOT_VERSION
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ARG BOOST_UNDERSCORE_VERSION
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ARG FREETYPE_VERSION="2.13.3"
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ARG ZLIB_VERSION="1.3.2"
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ARG http_proxy
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ARG https_proxy
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FROM debian:bookworm AS deps-stage
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ARG EMSDK_VERSION
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ARG EXCEPTION_HANDLING
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ARG RDKIT_GIT_URL
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ARG RDKIT_BRANCH
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ARG BOOST_MAJOR_VERSION
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ARG BOOST_MINOR_VERSION
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ARG BOOST_PATCH_VERSION
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ARG FREETYPE_VERSION
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ARG ZLIB_VERSION
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ARG http_proxy
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ARG https_proxy
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LABEL maintainer="Greg Landrum <greg.landrum@t5informatics.com>"
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RUN [ -n "${http_proxy}" ] && echo "export http_proxy=${http_proxy}" >> ~/.bashrc || true
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RUN [ -n "${https_proxy}" ] && echo "export https_proxy=${https_proxy}" >> ~/.bashrc || true
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SHELL ["/bin/bash", "-c", "-l"]
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ENV DEBIAN_FRONTEND=noninteractive
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RUN apt-get update && apt-get upgrade -y && apt install -y \
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curl \
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wget \
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cmake \
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python3 \
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g++ \
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libeigen3-dev \
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git \
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xz-utils \
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nodejs
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# If you are in an organization, put your organization certs inside
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# the certs directory otherwise HTTPS might not work
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COPY certs /usr/local/share/ca-certificates/
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RUN update-ca-certificates
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ENV LANG C
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WORKDIR /opt
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RUN git clone https://github.com/emscripten-core/emsdk.git
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WORKDIR /src
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ARG BOOST_DOT_VERSION="${BOOST_MAJOR_VERSION}.${BOOST_MINOR_VERSION}.${BOOST_PATCH_VERSION}"
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ARG BOOST_UNDERSCORE_VERSION="${BOOST_MAJOR_VERSION}_${BOOST_MINOR_VERSION}_${BOOST_PATCH_VERSION}"
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RUN wget -q https://archives.boost.io/release/${BOOST_DOT_VERSION}/source/boost_${BOOST_UNDERSCORE_VERSION}.tar.gz && \
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tar xzf boost_${BOOST_UNDERSCORE_VERSION}.tar.gz
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WORKDIR /src/boost_${BOOST_UNDERSCORE_VERSION}
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RUN ./bootstrap.sh --prefix=/opt/boost --with-libraries=system && \
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./b2 install
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WORKDIR /opt/emsdk
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RUN ./emsdk install ${EMSDK_VERSION} && \
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./emsdk activate ${EMSDK_VERSION}
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#RUN source ./emsdk_env.sh
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RUN echo "source /opt/emsdk/emsdk_env.sh > /dev/null 2>&1" >> ~/.bashrc
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WORKDIR /src
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RUN wget -q https://download.savannah.gnu.org/releases/freetype/freetype-${FREETYPE_VERSION}.tar.gz && \
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tar xzf freetype-${FREETYPE_VERSION}.tar.gz
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WORKDIR /src/freetype-${FREETYPE_VERSION}
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RUN mkdir build
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WORKDIR /src/freetype-${FREETYPE_VERSION}/build
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RUN emcmake cmake -DCMAKE_BUILD_TYPE=Release \
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-DFT_DISABLE_ZLIB=TRUE -DFT_DISABLE_BZIP2=TRUE -DFT_DISABLE_PNG=TRUE \
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-DFT_DISABLE_HARFBUZZ=TRUE -DFT_DISABLE_BROTLI=TRUE \
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-DCMAKE_C_FLAGS="${EXCEPTION_HANDLING}" -DCMAKE_EXE_LINKER_FLAGS="${EXCEPTION_HANDLING}" \
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-DCMAKE_INSTALL_PREFIX=/opt/freetype ..
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RUN make -j2 && make -j2 install
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WORKDIR /src
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RUN wget -q https://github.com/madler/zlib/releases/download/v${ZLIB_VERSION}/zlib-${ZLIB_VERSION}.tar.gz && \
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tar xzf zlib-${ZLIB_VERSION}.tar.gz
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WORKDIR /src/zlib-${ZLIB_VERSION}
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RUN mkdir build
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WORKDIR /src/zlib-${ZLIB_VERSION}/build
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RUN emcmake cmake -DCMAKE_BUILD_TYPE=Release -DZLIB_BUILD_EXAMPLES=OFF \
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-DCMAKE_C_FLAGS="${EXCEPTION_HANDLING}" -DCMAKE_EXE_LINKER_FLAGS="${EXCEPTION_HANDLING}" \
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-DCMAKE_INSTALL_PREFIX=/opt/zlib ..
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RUN make && make install
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RUN echo "export BOOST_DOT_VERSION=${BOOST_DOT_VERSION}" >> ~/.bashrc
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RUN echo "export BOOST_UNDERSCORE_VERSION=${BOOST_UNDERSCORE_VERSION}" >> ~/.bashrc
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