Merge pull request #47 from rse-ops/add/rocky-lammps

add rocky lammps image

lammps-efa-rocky/Dockerfile

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+ARG tag=8
+FROM ghcr.io/rse-ops/spack-rocky-libfabric:tag-${tag}
+
+# Google cloud doesn't have EFA
+# ENV FI_EFA_USE_DEVICE_RDMA=1
+# ENV RDMAV_FORK_SAFE=1
+ENV DEBIAN_FRONTEND=noninteractive
+
+# Install time for timed commands
+RUN dnf update -y && dnf install -y time && \
+    dnf clean all && \
+    ldconfig && \
+    rm -rf /tmp/* /var/tmp/*
+
+# install laamps
+USER root
+RUN git clone --depth 1 --branch stable_29Sep2021_update2 https://github.com/lammps/lammps.git /opt/lammps && \
+    cd /opt/lammps && \
+    mkdir build && \
+    cd build && \
+    . /etc/profile && \ 
+    cmake ../cmake -DCMAKE_INSTALL_PREFIX:PATH=/usr -D PKG_REAXFF=yes -D BUILD_MPI=yes -D PKG_OPT=yes -D FFT=FFTW3 && \
+    make && \
+    make install
+
+# We are running this as root for storage, so do not
+# need to put examples elsewhere and change permissions
+
+# Needed for ffmpeg
+# dnf install -y https://download1.rpmfusion.org/free/el/rpmfusion-free-release-8.noarch.rpm
+# dnf install -y https://download1.rpmfusion.org/nonfree/el/rpmfusion-nonfree-release-8.noarch.rpm
+# dnf install -y ffmpeg
+
+# install laamps
+
+# The cmake prefix path is needed otherwise openmpi is not found
+# cmake ../cmake -DCMAKE_INSTALL_PREFIX:PATH=/usr -D PKG_REAXFF=yes -D BUILD_MPI=yes -D PKG_OPT=yes -D FFT=FFTW3 -DCMAKE_PREFIX_PATH=/usr/lib64/openmpi
+
+# Run from a node:
+# cd /opt/lammps/examples/reaxff/HNS
+# flux run -n 1 lmp -v x 1 -v y 1 -v z 1 -in in.reaxc.hns -nocite

lammps-efa-rocky/uptodate.yaml

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+dockerbuild:
+
+  build_args:
+    ubuntu_version:
+      key: tag
+      versions:
+       - "8"