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# Example usage of this Dockerfile:
# (the --build-arg arguments are all optional)
#
# 1. cd to Code/MinimalLib/docker
# cd Code/MinimalLib/docker
#
# 2. build the MinimalLib rdkit-minimallib-deps image:
# docker build --target deps-stage -t rdkit-minimallib-deps \
# --build-arg http_proxy=$HTTP_PROXY \
# --build-arg https_proxy=$HTTP_PROXY \
# --network=host --build-arg "EXCEPTION_HANDLING=-fwasm-exceptions" \
# -f Dockerfile_1_deps .
ARG EMSDK_VERSION="latest"
ARG EXCEPTION_HANDLING="-fexceptions -sNO_DISABLE_EXCEPTION_CATCHING"
ARG BOOST_MAJOR_VERSION="1"
ARG BOOST_MINOR_VERSION="87"
ARG BOOST_PATCH_VERSION="0"
ARG BOOST_DOT_VERSION
ARG BOOST_UNDERSCORE_VERSION
ARG FREETYPE_VERSION="2.13.3"
ARG ZLIB_VERSION="1.3.1"
ARG http_proxy
ARG https_proxy
FROM debian:bookworm AS deps-stage
ARG EMSDK_VERSION
ARG EXCEPTION_HANDLING
ARG RDKIT_GIT_URL
ARG RDKIT_BRANCH
ARG BOOST_MAJOR_VERSION
ARG BOOST_MINOR_VERSION
ARG BOOST_PATCH_VERSION
ARG FREETYPE_VERSION
ARG ZLIB_VERSION
ARG http_proxy
ARG https_proxy
LABEL maintainer="Greg Landrum <greg.landrum@t5informatics.com>"
RUN [ -n "${http_proxy}" ] && echo "export http_proxy=${http_proxy}" >> ~/.bashrc || true
RUN [ -n "${https_proxy}" ] && echo "export https_proxy=${https_proxy}" >> ~/.bashrc || true
SHELL ["/bin/bash", "-c", "-l"]
ENV DEBIAN_FRONTEND=noninteractive
RUN apt-get update && apt-get upgrade -y && apt install -y \
curl \
wget \
cmake \
python3 \
g++ \
libeigen3-dev \
git \
xz-utils \
nodejs
# If you are in an organization, put your organization certs inside
# the certs directory otherwise HTTPS might not work
COPY certs /usr/local/share/ca-certificates/
RUN update-ca-certificates
ENV LANG C
WORKDIR /opt
RUN git clone https://github.com/emscripten-core/emsdk.git
WORKDIR /src
ARG BOOST_DOT_VERSION="${BOOST_MAJOR_VERSION}.${BOOST_MINOR_VERSION}.${BOOST_PATCH_VERSION}"
ARG BOOST_UNDERSCORE_VERSION="${BOOST_MAJOR_VERSION}_${BOOST_MINOR_VERSION}_${BOOST_PATCH_VERSION}"
RUN wget -q https://archives.boost.io/release/${BOOST_DOT_VERSION}/source/boost_${BOOST_UNDERSCORE_VERSION}.tar.gz && \
tar xzf boost_${BOOST_UNDERSCORE_VERSION}.tar.gz
WORKDIR /src/boost_${BOOST_UNDERSCORE_VERSION}
RUN ./bootstrap.sh --prefix=/opt/boost --with-libraries=system && \
./b2 install
WORKDIR /opt/emsdk
RUN ./emsdk install ${EMSDK_VERSION} && \
./emsdk activate ${EMSDK_VERSION}
#RUN source ./emsdk_env.sh
RUN echo "source /opt/emsdk/emsdk_env.sh > /dev/null 2>&1" >> ~/.bashrc
WORKDIR /src
RUN wget -q https://download.savannah.gnu.org/releases/freetype/freetype-${FREETYPE_VERSION}.tar.gz && \
tar xzf freetype-${FREETYPE_VERSION}.tar.gz
WORKDIR /src/freetype-${FREETYPE_VERSION}
RUN mkdir build
WORKDIR /src/freetype-${FREETYPE_VERSION}/build
RUN emcmake cmake -DCMAKE_BUILD_TYPE=Release \
-DFT_DISABLE_ZLIB=TRUE -DFT_DISABLE_BZIP2=TRUE -DFT_DISABLE_PNG=TRUE \
-DFT_DISABLE_HARFBUZZ=TRUE -DFT_DISABLE_BROTLI=TRUE \
-DCMAKE_C_FLAGS="${EXCEPTION_HANDLING}" -DCMAKE_EXE_LINKER_FLAGS="${EXCEPTION_HANDLING}" \
-DCMAKE_INSTALL_PREFIX=/opt/freetype ..
RUN make -j2 && make -j2 install
WORKDIR /src
RUN wget -q https://zlib.net/zlib-${ZLIB_VERSION}.tar.gz && \
tar xzf zlib-${ZLIB_VERSION}.tar.gz
WORKDIR /src/zlib-${ZLIB_VERSION}
RUN mkdir build
WORKDIR /src/zlib-${ZLIB_VERSION}/build
RUN emcmake cmake -DCMAKE_BUILD_TYPE=Release -DZLIB_BUILD_EXAMPLES=OFF \
-DCMAKE_C_FLAGS="${EXCEPTION_HANDLING}" -DCMAKE_EXE_LINKER_FLAGS="${EXCEPTION_HANDLING}" \
-DCMAKE_INSTALL_PREFIX=/opt/zlib ..
RUN make && make install
RUN echo "export BOOST_DOT_VERSION=${BOOST_DOT_VERSION}" >> ~/.bashrc
RUN echo "export BOOST_UNDERSCORE_VERSION=${BOOST_UNDERSCORE_VERSION}" >> ~/.bashrc
|
