add spack builds

Signed-off-by: vsoch <vsoch@users.noreply.github.com>
converged-computing · Oct 3, 2024 · b18eef3 · b18eef3
1 parent 9cd7eab
commit b18eef3
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diff --git a/google/laghos/Dockerfile b/google/laghos/Dockerfile
@@ -1,8 +1,8 @@
 FROM ubuntu:22.04
 
 # Build command
-#  docker build -t ghcr.io/converged-computing/ensemble-laghos:libfabric .
-#  docker push ghcr.io/converged-computing/ensemble-laghos:libfabric
+#  docker build -t ghcr.io/converged-computing/ensemble-laghos .
+#  docker push ghcr.io/converged-computing/ensemble-laghos
 
 # Compilers, autotools
 ENV DEBIAN_FRONTEND=noninteractive
@@ -46,15 +46,10 @@ RUN locale-gen en_US.UTF-8
 ENV LANG=C.UTF-8
 
 WORKDIR /opt
-RUN git clone -b v1.21.1 /~https://github.com/ofiwg/libfabric.git /opt/libfabric && \
-    cd /opt/libfabric && ./autogen.sh && \
-    ./configure --enable-efa=yes --enable-tcp=yes --enable-udp=yes --enable-sockets=yes --enable-verbs=yes --enable-shm=yes --enable-mrail=yes --enable-rxd=yes --enable-rxm=yes && \
-    make -j 4 && make install
-
 RUN wget https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.2.tar.gz && \
     tar -xzvf openmpi-4.1.2.tar.gz && \
     cd openmpi-4.1.2 && \
-    ./configure --with-ofi=/usr/local && \
+    ./configure && \
     make -j 4 && make install && ldconfig
 
 # Finally, install oras for saving artifacts

diff --git a/google/stream/Dockerfile b/google/stream/Dockerfile
@@ -1,12 +1,10 @@
-FROM ubuntu:22.04
-ENV DEBIAN_FRONTEND=noninteractive
-
 FROM ubuntu:22.04
 
 # Build command
 #  docker build -t ghcr.io/converged-computing/ensemble-stream .
 #  docker push ghcr.io/converged-computing/ensemble-stream
 
+# Compilers, autotools
 ENV DEBIAN_FRONTEND=noninteractive
 RUN apt-get update && \
     apt-get -qq install -y --no-install-recommends \
@@ -54,6 +52,7 @@ RUN wget https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.2.tar.g
     ./configure && \
     make -j 4 && make install && ldconfig
 
+# Finally, install oras for saving artifacts
 RUN export VERSION="1.1.0" && \
     curl -LO "/~https://github.com/oras-project/oras/releases/download/v${VERSION}/oras_${VERSION}_linux_amd64.tar.gz" && \
     mkdir -p oras-install/ && \
@@ -64,6 +63,15 @@ RUN export VERSION="1.1.0" && \
 ENV PATH=/usr/local/pancakes/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
 ENV LD_LIBRARY_PATH=/usr/local/pancakes/lib:/usr/local/lib
 
+RUN apt-get update && apt-get install -y openssh-client openssh-server cmake && apt-get clean
+RUN echo "        LogLevel ERROR" >> /etc/ssh/ssh_config && \
+    echo "        StrictHostKeyChecking no" >> /etc/ssh/ssh_config && \
+    echo "        UserKnownHostsFile=/dev/null" >> /etc/ssh/ssh_config && \
+    cd /root && \
+    mkdir -p /run/sshd && \
+    ssh-keygen -t rsa -N "" -f /root/.ssh/id_rsa && chmod og+rX . && \
+    cd .ssh && cat id_rsa.pub > authorized_keys && chmod 644 authorized_keys
+EXPOSE 22
 WORKDIR /opt/stream
 COPY ./src .
 RUN apt-get install -y gfortran && \

diff --git a/spack/amg2023/Dockerfile b/spack/amg2023/Dockerfile
@@ -0,0 +1,84 @@
+FROM ubuntu:22.04 AS builder
+ENV DEBIAN_FRONTEND=noninteractive
+
+# Build command
+#  docker build  -t ghcr.io/converged-computing/ensemble-amg2023:spack .
+#  docker push ghcr.io/converged-computing/ensemble-amg2023:spack
+
+RUN apt-get update
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install \
+    autotools-dev \
+    autoconf \
+    automake \
+    cmake \
+    git \
+    python3 \
+    dnsutils \
+    openssh-server \
+    openssh-client \
+    apt-utils \
+    gcc \
+    unzip \
+    gfortran \
+    g++ \
+    build-essential \
+    software-properties-common
+
+# What we want to install and how we want to install it
+# is specified in a manifest file (spack.yaml)
+# IMPORTANT: cpu gets +int64, and gpu +mixedint
+RUN mkdir /opt/spack-environment \
+    &&  (echo "spack:" \
+    &&   echo "  specs:" \
+    &&   echo "  - openmpi@4.1.4 +legacylaunchers" \
+    &&   echo "  - pmix@4.2.2" \
+    &&   echo "  - amg2023 +mpi +openmp" \
+    &&   echo "  - hypre +int64 +openmp" \
+    &&   echo "  concretizer:" \
+    &&	 echo "    unify: true" \
+    &&   echo "  config:" \
+    &&   echo "    install_tree: /opt/software" \
+    &&   echo "  view: /opt/view") > /opt/spack-environment/spack.yaml
+
+RUN cd /opt/spack-environment \
+    && git clone --depth 1 --branch v0.22.1 /~https://github.com/spack/spack.git \
+    && . spack/share/spack/setup-env.sh \
+    && spack env activate . \
+    && spack external find openssh \
+    && spack external find cmake \
+    && spack install --reuse --fail-fast \
+    && spack gc -y
+
+# Modifications to the environment that are necessary to run
+RUN cd /opt/spack-environment \
+    && . spack/share/spack/setup-env.sh \
+    && spack env activate --sh -d . >> /etc/profile.d/z10_spack_environment.sh
+
+WORKDIR /opt
+EXPOSE 22
+
+FROM ubuntu:22.04
+
+COPY --from=builder /opt/spack-environment /opt/spack-environment
+COPY --from=builder /opt/software /opt/software
+COPY --from=builder /opt/view /opt/view
+COPY --from=builder /etc/profile.d/z10_spack_environment.sh /etc/profile.d/z10_spack_environment.sh
+
+RUN apt-get update
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install --no-install-recommends \
+    ca-certificates \
+    openssh-server \
+    openssh-client \
+    dnsutils \
+    curl \
+    && apt-get clean \
+    && apt-get autoremove \
+    && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
+
+# Finally, install oras for saving artifacts
+RUN export VERSION="1.1.0" && \
+    curl -LO "/~https://github.com/oras-project/oras/releases/download/v${VERSION}/oras_${VERSION}_linux_amd64.tar.gz" && \
+    mkdir -p oras-install/ && \
+    tar -zxf oras_${VERSION}_*.tar.gz -C oras-install/ && \
+    mv oras-install/oras /usr/local/bin/ && \
+    rm -rf oras_${VERSION}_*.tar.gz oras-install/
diff --git a/spack/kripke/Dockerfile b/spack/kripke/Dockerfile
@@ -0,0 +1,80 @@
+FROM ubuntu:22.04 AS builder
+ENV DEBIAN_FRONTEND=noninteractive
+
+# Build command
+#  docker build  -t ghcr.io/converged-computing/ensemble-kripke:spack .
+#  docker push ghcr.io/converged-computing/ensemble-kripke:spack
+
+RUN apt-get update
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install \
+    autotools-dev \
+    autoconf \
+    automake \
+    cmake \
+    git \
+    python3 \
+    dnsutils \
+    openssh-server \
+    openssh-client \
+    apt-utils \
+    gcc \
+    unzip \
+    gfortran \
+    g++ \
+    build-essential \
+    software-properties-common
+
+RUN mkdir /opt/spack-environment \
+    &&  (echo "spack:" \
+    &&   echo "  specs:" \
+    &&   echo "  - openmpi@4.1.4 +legacylaunchers" \
+    &&   echo "  - pmix@4.2.2" \
+    &&   echo "  - kripke@1.2.2 +mpi +openmp" \
+    &&   echo "  concretizer:" \
+    &&	 echo "    unify: true" \
+    &&   echo "  config:" \
+    &&   echo "    install_tree: /opt/software" \
+    &&   echo "  view: /opt/view") > /opt/spack-environment/spack.yaml
+
+RUN cd /opt/spack-environment \
+    && git clone --depth 1 --branch v0.22.1 /~https://github.com/spack/spack.git \
+    && . spack/share/spack/setup-env.sh \
+    && spack env activate . \
+    && spack external find openssh \
+    && spack external find cmake \
+    && spack install --reuse --fail-fast \
+    && spack gc -y
+
+# Modifications to the environment that are necessary to run
+RUN cd /opt/spack-environment \
+    && . spack/share/spack/setup-env.sh \
+    && spack env activate --sh -d . >> /etc/profile.d/z10_spack_environment.sh
+
+WORKDIR /opt
+EXPOSE 22
+
+FROM ubuntu:22.04
+
+COPY --from=builder /opt/spack-environment /opt/spack-environment
+COPY --from=builder /opt/software /opt/software
+COPY --from=builder /opt/view /opt/view
+COPY --from=builder /etc/profile.d/z10_spack_environment.sh /etc/profile.d/z10_spack_environment.sh
+
+RUN apt-get update
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install --no-install-recommends \
+    ca-certificates \
+    openssh-server \
+    openssh-client \
+    dnsutils \
+    curl \
+    && apt-get clean \
+    && apt-get autoremove \
+    && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
+
+# Finally, install oras for saving artifacts
+RUN export VERSION="1.1.0" && \
+    curl -LO "/~https://github.com/oras-project/oras/releases/download/v${VERSION}/oras_${VERSION}_linux_amd64.tar.gz" && \
+    mkdir -p oras-install/ && \
+    tar -zxf oras_${VERSION}_*.tar.gz -C oras-install/ && \
+    mv oras-install/oras /usr/local/bin/ && \
+    rm -rf oras_${VERSION}_*.tar.gz oras-install/
diff --git a/spack/laghos/Dockerfile b/spack/laghos/Dockerfile
@@ -0,0 +1,80 @@
+FROM ubuntu:22.04 AS builder
+ENV DEBIAN_FRONTEND=noninteractive
+
+# Build command
+#  docker build  -t ghcr.io/converged-computing/ensemble-laghos:spack .
+#  docker push ghcr.io/converged-computing/ensemble-laghos:spack
+
+RUN apt-get update
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install \
+    autotools-dev \
+    autoconf \
+    automake \
+    cmake \
+    git \
+    python3 \
+    dnsutils \
+    openssh-server \
+    openssh-client \
+    apt-utils \
+    gcc \
+    unzip \
+    gfortran \
+    g++ \
+    build-essential \
+    software-properties-common
+
+RUN mkdir /opt/spack-environment \
+    &&  (echo "spack:" \
+    &&   echo "  specs:" \
+    &&   echo "  - openmpi@4.1.4 +legacylaunchers" \
+    &&   echo "  - pmix@4.2.2" \
+    &&   echo "  - laghos" \
+    &&   echo "  concretizer:" \
+    &&	 echo "    unify: true" \
+    &&   echo "  config:" \
+    &&   echo "    install_tree: /opt/software" \
+    &&   echo "  view: /opt/view") > /opt/spack-environment/spack.yaml
+
+RUN cd /opt/spack-environment \
+    && git clone --depth 1 --branch v0.22.1 /~https://github.com/spack/spack.git \
+    && . spack/share/spack/setup-env.sh \
+    && spack env activate . \
+    && spack external find openssh \
+    && spack external find cmake \
+    && spack install --reuse --fail-fast \
+    && spack gc -y
+
+# Modifications to the environment that are necessary to run
+RUN cd /opt/spack-environment \
+    && . spack/share/spack/setup-env.sh \
+    && spack env activate --sh -d . >> /etc/profile.d/z10_spack_environment.sh
+
+WORKDIR /opt
+EXPOSE 22
+
+FROM ubuntu:22.04
+
+COPY --from=builder /opt/spack-environment /opt/spack-environment
+COPY --from=builder /opt/software /opt/software
+COPY --from=builder /opt/view /opt/view
+COPY --from=builder /etc/profile.d/z10_spack_environment.sh /etc/profile.d/z10_spack_environment.sh
+
+RUN apt-get update
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install --no-install-recommends \
+    ca-certificates \
+    openssh-server \
+    openssh-client \
+    dnsutils \
+    curl \
+    && apt-get clean \
+    && apt-get autoremove \
+    && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
+
+# Finally, install oras for saving artifacts
+RUN export VERSION="1.1.0" && \
+    curl -LO "/~https://github.com/oras-project/oras/releases/download/v${VERSION}/oras_${VERSION}_linux_amd64.tar.gz" && \
+    mkdir -p oras-install/ && \
+    tar -zxf oras_${VERSION}_*.tar.gz -C oras-install/ && \
+    mv oras-install/oras /usr/local/bin/ && \
+    rm -rf oras_${VERSION}_*.tar.gz oras-install/
diff --git a/spack/lammps/Dockerfile b/spack/lammps/Dockerfile
@@ -0,0 +1,80 @@
+FROM ubuntu:22.04 AS builder
+ENV DEBIAN_FRONTEND=noninteractive
+
+# Build command
+#  docker build  -t ghcr.io/converged-computing/ensemble-lammps:spack .
+#  docker push ghcr.io/converged-computing/ensemble-lammps:spack
+
+RUN apt-get update
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install \
+    autotools-dev \
+    autoconf \
+    automake \
+    cmake \
+    git \
+    python3 \
+    dnsutils \
+    openssh-server \
+    openssh-client \
+    apt-utils \
+    gcc \
+    unzip \
+    gfortran \
+    g++ \
+    build-essential \
+    software-properties-common
+
+RUN mkdir /opt/spack-environment \
+    &&  (echo "spack:" \
+    &&   echo "  specs:" \
+    &&   echo "  - openmpi@4.1.4 +legacylaunchers" \
+    &&   echo "  - pmix@4.2.2" \
+    &&   echo "  - lammps +mpi +openmp +reaxff" \
+    &&   echo "  concretizer:" \
+    &&	 echo "    unify: true" \
+    &&   echo "  config:" \
+    &&   echo "    install_tree: /opt/software" \
+    &&   echo "  view: /opt/view") > /opt/spack-environment/spack.yaml
+
+RUN cd /opt/spack-environment \
+    && git clone --depth 1 --branch v0.22.1 /~https://github.com/spack/spack.git \
+    && . spack/share/spack/setup-env.sh \
+    && spack env activate . \
+    && spack external find openssh \
+    && spack external find cmake \
+    && spack install --reuse --fail-fast \
+    && spack gc -y
+
+# Modifications to the environment that are necessary to run
+RUN cd /opt/spack-environment \
+    && . spack/share/spack/setup-env.sh \
+    && spack env activate --sh -d . >> /etc/profile.d/z10_spack_environment.sh
+
+WORKDIR /opt
+EXPOSE 22
+
+FROM ubuntu:22.04
+
+COPY --from=builder /opt/spack-environment /opt/spack-environment
+COPY --from=builder /opt/software /opt/software
+COPY --from=builder /opt/view /opt/view
+COPY --from=builder /etc/profile.d/z10_spack_environment.sh /etc/profile.d/z10_spack_environment.sh
+
+RUN apt-get update
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install --no-install-recommends \
+    ca-certificates \
+    openssh-server \
+    openssh-client \
+    dnsutils \
+    curl \
+    && apt-get clean \
+    && apt-get autoremove \
+    && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/*
+
+# Finally, install oras for saving artifacts
+RUN export VERSION="1.1.0" && \
+    curl -LO "/~https://github.com/oras-project/oras/releases/download/v${VERSION}/oras_${VERSION}_linux_amd64.tar.gz" && \
+    mkdir -p oras-install/ && \
+    tar -zxf oras_${VERSION}_*.tar.gz -C oras-install/ && \
+    mv oras-install/oras /usr/local/bin/ && \
+    rm -rf oras_${VERSION}_*.tar.gz oras-install/