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* Building Jungfraujoch no longer needs zlib or Eigen installed on the machine, and the dependencies the build fetches are pinned and updated to current releases. * rugnux: improvements in indexing, lattice selection and geometry post-refinement, which index crystals that previously returned no lattice and keep the better of the two geometries a run measures. * rugnux: improvements in beam-centre measurement, beam-stop detection and space-group determination. * rugnux: the unit cell reported with a determined space group now obeys that group - a cell whose symmetry was confirmed from the intensities is re-refined under it, and a cell the group cannot describe is reported with a warning rather than as it stands. * rugnux drops the stretches of a rotation sweep whose removal measurably improves the merged intensities and reports what became of every frame, and decides the resolution cut on the crystal's own diffraction rather than on its ice rings. * The rugnux results report is machine-readable - every line that is not `KEY= value` data starts with `#` - and states the build it was written by, its authorship and its terms of use (`REPORT_VERSION= 8`). * `jfjoch_viewer`: improvements in the file manager (CBF frames beside HDF5 datasets, a remembered root), the dataset plots, the inspector and the image statistics, plus a settable font size, a view of the rugnux results report, usable performance over a remote display (`ssh -X`) and a reset of all settings to defaults; the reciprocal-space window is removed. * Broker fixes around DECTRIS collections and dark-mask calibration: re-initialising after a run that never started no longer freezes the broker, a cancelled calibration is abandoned instead of reported as done, and a collection whose start message never arrives ends by itself. Reviewed-on: #79 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
177 lines
6.8 KiB
Docker
177 lines
6.8 KiB
Docker
FROM nvidia/cuda:13.3.0-devel-rockylinux9
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LABEL authors="leonarski_f"
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ARG OPENSSL_VERSION=3.5.4
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ARG QT_VERSION=6.11.1
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ARG DBUS_VERSION=1.14.10
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ARG NODE_MAJOR=22
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ARG EIGEN_VERSION=3.4.0
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# HDF5, libtiff and libjpeg-turbo are built by the jungfraujoch CMake itself (FetchContent /
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# ExternalProject). Eigen is an external find_package(Eigen3 3.4) dependency, installed from source
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# below (3.4.x is required; Eigen's same-major-version rule rejects 5.x).
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ARG DIALS_VERSION=3.27.0
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ARG DIALS_TARBALL_URL=https://github.com/dials/dials/releases/download/v3.27.0/dials-v3-27-0-linux-x86_64.tar.xz
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ARG DIALS_PREFIX=/opt
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# Update base, enable CRB (RHEL/Rocky 9), and install toolchain + Qt deps
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RUN dnf -y update && \
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dnf -y install \
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'dnf-command(config-manager)' && \
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dnf config-manager --set-enabled crb && \
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dnf -y install --enablerepo=devel \
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dnf-plugins-core \
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epel-release \
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git \
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which \
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ca-certificates \
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wget \
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tar \
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xz \
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make \
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gcc-toolset-13 \
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gcc-toolset-13-gcc \
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gcc-toolset-13-gcc-c++ \
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gcc-toolset-13-gdb \
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rpm-build \
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rpmdevtools \
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numactl-devel \
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redhat-rpm-config \
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python3 \
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python3.12 \
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perl \
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nasm \
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pkgconf-pkg-config \
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xcb-util-devel \
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xcb-util-*-devel \
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libxcb-devel \
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libxkbcommon-devel \
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libxkbcommon-x11-devel \
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libX11-devel \
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libXext-devel \
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libXrender-devel \
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libXi-devel \
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libXrandr-devel \
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libXcursor-devel \
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libXfixes-devel \
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libXinerama-devel \
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mesa-libGL-devel \
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mesa-libEGL-devel \
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expat-devel \
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krb5-devel \
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zlib-devel \
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zlib-static \
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fontconfig-devel \
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mesa-dri-drivers \
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libdrm-devel \
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libglvnd-core-devel \
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libglvnd-devel \
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glibc-langpack-en \
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glibc-locale-source \
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freetype-devel && \
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dnf clean all && rm -rf /var/cache/dnf
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# Everything built from source below is identical in all four build images, so it lives in
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# docker/common/ and is run from there -- one copy to change, not four. The build context is
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# docker/ (see build_images.sh), which is what puts common/ in reach of this COPY.
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ARG CMAKE_VERSION=3.31.8
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ARG CMAKE_SHA256=630615d8e98ac33eba7fbe472626dff5c899c85af3c024585ae109166a6909d0
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ARG NINJA_VERSION=1.13.2
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ARG NINJA_SHA256=5749cbc4e668273514150a80e387a957f933c6ed3f5f11e03fb30955e2bbead6
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COPY common/ /opt/jfjoch-common/
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RUN /opt/jfjoch-common/install-cmake.sh
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RUN /opt/jfjoch-common/install-ninja.sh
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# Ahead of the distro path: these are the CMake and Ninja every later step and every CI build uses.
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ENV PATH=/opt/cmake-${CMAKE_VERSION}/bin:/opt/ninja-${NINJA_VERSION}/bin:${PATH}
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RUN /opt/jfjoch-common/build-openssl.sh
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# Expose static OpenSSL to CMake/pkg-config
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ENV OPENSSL_ROOT_DIR=/opt/openssl-${OPENSSL_VERSION}
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ENV PKG_CONFIG_PATH=${OPENSSL_ROOT_DIR}/lib/pkgconfig:${OPENSSL_ROOT_DIR}/lib64/pkgconfig:${PKG_CONFIG_PATH}
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# Install a recent Node.js (NodeSource). Change NODE_MAJOR if you want another major version.
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RUN curl -fsSL https://rpm.nodesource.com/setup_${NODE_MAJOR}.x | bash - && \
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dnf -y install nodejs && \
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dnf clean all && rm -rf /var/cache/dnf && \
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node --version && npm --version && (corepack enable || true)
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# Make GCC/G++ 13 the default for builds
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ENV GCC_TOOLSET_ROOT=/opt/rh/gcc-toolset-13/root
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ENV PATH=${GCC_TOOLSET_ROOT}/usr/bin:${PATH}
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ENV CC=${GCC_TOOLSET_ROOT}/usr/bin/gcc
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ENV CXX=${GCC_TOOLSET_ROOT}/usr/bin/g++
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# Static libdbus: link D-Bus into the viewer (Qt6::DBus) instead of pulling libdbus-1.so.3 at runtime.
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# A distro libdbus-1.so drags in libsystemd (-> libzstd/liblz4/libcap/libgcrypt/libgpg-error) and
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# libselinux (-> libpcre2). Disabling those integrations makes libdbus-1.a depend on ~libc alone, so
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# that whole runtime .so tail disappears while the viewer keeps its single-instance / remote-control
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# D-Bus feature -- it is a pure session-bus client (registers a name + exports an adaptor), so the
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# daemon-side systemd/selinux features are irrelevant. Static-only install (no .so); the Qt build
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# finds it through find_package(DBus1) via the -DDBus1_DIR hint (the CMake package config dbus
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# installs, which imports libdbus-1.a). Built -fPIC (--with-pic) so the archive links into Qt's PIE
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# tools (qdbusxml2cpp). expat is only a configure-time dep of the dbus daemon; the client libdbus-1
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# links neither expat nor systemd.
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RUN /opt/jfjoch-common/build-dbus.sh
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# Put the static libdbus pkgconfig ahead of the system one so Qt6::DBus resolves to the .a
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ENV PKG_CONFIG_PATH=/opt/dbus-${DBUS_VERSION}-static/lib/pkgconfig:${PKG_CONFIG_PATH}
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# Build and install static Qt 6.9 with Core, Gui, Widgets, Charts, DBus
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ARG QT_PREFIX=/opt/qt-${QT_VERSION}-static
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RUN /opt/jfjoch-common/build-qt.sh
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# Install DIALS using the official binary tarball workflow
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RUN set -eux; \
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cd /tmp; \
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curl -fL -o dials.tar.xz "${DIALS_TARBALL_URL}"; \
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tar -xJf dials.tar.xz; \
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cd dials-installer; \
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./install --prefix="${DIALS_PREFIX}"; \
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cd /; \
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rm -rf /tmp/dials.tar.xz /tmp/dials-*-linux-x86_64
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RUN set -eux; \
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mkdir -p /opt/xds; \
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cd /tmp; \
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curl -fL -o XDS-gfortran_Linux_x86_64.tar.gz https://xds.mr.mpg.de/XDS-gfortran_Linux_x86_64.tar.gz; \
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tar -xzf XDS-gfortran_Linux_x86_64.tar.gz; \
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cp -a /tmp/XDS-gfortran_Linux_x86_64/. /opt/xds/
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RUN set -eux; \
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cd /tmp; \
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curl -fL -o dectris-neggia-1.2.0.el7.tar.gz \
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https://github.com/dectris/neggia/files/6585943/dectris-neggia-1.2.0.el7.tar.gz; \
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tar -xzf dectris-neggia-1.2.0.el7.tar.gz; \
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find . -name 'dectris-neggia*.so' -print; \
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mkdir -p /opt/xds; \
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cp -av "$(find . -name 'dectris-neggia*.so' | head -n 1)" /opt/xds/dectris-neggia.so; \
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chmod 755 /opt/xds/dectris-neggia.so; \
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rm -rf /tmp/dectris-neggia-1.2.0.el7.tar.gz /tmp/*
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RUN dnf -y install python3-Cython python3-pip python3-devel && dnf clean all
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RUN set -eux; \
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wget --tries=5 --waitretry=5 \
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-O /opt/xds/durin-plugin.so \
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https://gitea.psi.ch/mx/durin/releases/download/1.0.0/libdurin-plugin.so.1.0.0
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# Eigen 3.4 (header-only) -- external find_package(Eigen3 3.4) dependency, installed to /opt/eigen-3.4.
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RUN /opt/jfjoch-common/install-eigen.sh
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# Make Qt, the static libdbus, and Eigen discoverable by CMake. The static libdbus prefix is
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# required here (not only at Qt build time): every Qt6::DBus consumer re-runs find_package(DBus1)
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# through Qt's exported config, so DBus1Config.cmake must be on CMAKE_PREFIX_PATH for the viewer build.
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ENV CMAKE_PREFIX_PATH=/opt/qt-${QT_VERSION}-static:/opt/dbus-${DBUS_VERSION}-static:/opt/eigen-3.4
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ENV LANG=en_US.UTF-8
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ENV LANGUAGE=en_US:en
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ENV LC_ALL=en_US.UTF-8
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# Set workdir for your project
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WORKDIR /workspace
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# Default entrypoint: interactive shell
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CMD ["/bin/bash", "-l"]
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RUN rm -rf /opt/jfjoch-common
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