Container for (spack-manager) CPU Build of Exawind

configs/containercpu/compilers.yaml

@@ -0,0 +1,13 @@
+compilers:
+- compiler:
+    spec: [email protected]
+    paths:
+      cc: /usr/bin/gcc
+      cxx: /usr/bin/g++
+      f77: /usr/bin/gfortran
+      fc: /usr/bin/gfortran
+    flags: {}
+    operating_system: ubuntu22.04
+    target: any
+    modules: []
+    extra_rpaths: []

configs/containercpu/config.yaml

@@ -0,0 +1,2 @@
+config:
+  build_jobs: 32

configs/containercpu/packages.yaml

@@ -0,0 +1,62 @@
+packages:
+# Global settings
+  all:
+    compiler:
+    - [email protected]
+    providers:
+      mpi: [mpich]
+      blas: [netlib-lapack]
+      lapack: [netlib-lapack]
+    variants: build_type=Release
+  mpi:
+    require: mpich
+# Use Ubuntu libncurses-dev, b/c Spack version failes 
+  ncurses:
+    externals:
+    - spec: [email protected]
+      prefix: /usr
+# Package preferences to be built by Spack for correct Exawind
+# Nota bene: use libtool from Spack for correct linking
+  ascent:
+    variants: ~fortran~openmp
+  amr-wind:
+    variants: +tiny_profile
+  conduit:
+    variants: ~fortran~hdf5_compat
+  boost:
+    version: [1.78.0]
+    variants: cxxstd=17
+  cmake:
+    version: [3.26.3]
+    variants: build_type=Release
+  hdf5:
+    version: [1.10.7]
+    variants: +cxx+hl
+  libtool:
+    version: [2.4.7]
+  masa:
+    variants: ~fortran~python
+  netcdf-c:
+    require: '@4.7.4'
+    variants: +parallel-netcdf maxdims=65536 maxvars=524288
+  openfast:
+    version: [master]
+    variants: +cxx
+  parallel-netcdf:
+    version: [1.12.2]
+    variants: ~fortran
+  perl:
+    require: '@5.34.1'
+  tioga:
+    version: [develop]
+  trilinos:
+    require:
+      - any_of: ["@13.4.0", "@develop"]
+  hypre:
+    require: '@develop'
+    variants: ~fortran
+  hypre2:
+    require: '@develop'
+    variants: ~fortran
+  yaml-cpp:
+    version: [0.6.3]

env-templates/exawind_containercpu.yaml

@@ -0,0 +1,9 @@
+spack:
+  include:
+  - include.yaml
+  concretizer:
+    unify: false
+    reuse: false 
+  view: false
+  specs:
+    - 'exawind+hypre~cuda'

hpc_containers/exawind_container_cpu/Dockerfile-containercpu

@@ -0,0 +1,92 @@
+MAINTAINER Philip Sakievich, Sandia National Laboratories <[email protected]>
+MAINTAINER Jon Rood, NREL <[email protected]>
+
+ARG REGISTRY=docker.io/library
+ARG IMAGE=ubuntu
+ARG TAG=jammy
+
+FROM ${REGISTRY}/${IMAGE}:${TAG}
+
+# Make bash the default $SHELL
+SHELL ["/bin/bash", "-c"]
+
+# Install Spack Prereqs: https://spack.readthedocs.io/en/latest/getting_started.html#system-prerequisites
+
+RUN apt-get update -yqq && \
+    apt-get upgrade -yqq
+
+RUN apt-get install -yqq \
+    ca-certificates \
+    autoconf \
+    automake \
+    bzip2 \
+    clangd \
+    coreutils \
+    curl \
+    emacs-nox \
+    file \
+    flex \
+    gcc \
+    gcc-multilib \
+    gcc-doc \
+    g++ \
+    gfortran \
+    gfortran-multilib \
+    gfortran-doc \
+    git \
+    git-doc \
+    git-man \
+    gnupg2 \
+    libffi-dev \
+    libfmt-dev \
+    libgmp-dev \
+    libjpeg-dev \
+    libmpc-dev \
+    libncurses-dev \
+    libx11-dev \
+    lsb-release \
+    m4 \
+    make \
+    nano \
+    openssl \
+    patch \
+    python3 \
+    python3-distutils \
+    python3-venv \
+    unzip \
+    vim \
+    wget \
+    wget2 \
+    xz-utils \
+    zip \
+    zlib1g-dev
+
+RUN apt clean -yqq
+
+## Exawind CPU snapshot 
+WORKDIR /exawind-entry
+##RUN git clone --recursive https://github.com/sandialabs/spack-manager
+
+## Pre-merge fork
+RUN git clone --recursive https://github.com/ajpowelsnl/spack-manager
+#
+WORKDIR /exawind-entry/spack-manager
+## Pre-merge branch from ajpowelsnl/spack-manager fork
+RUN git checkout perlmutter/new_configs
+
+## Needed by "create-exawind-snapshot.sh"
+ENV SPACK_MANAGER=/exawind-entry/spack-manager
+ENV SPACK_MANAGER_MACHINE=containercpu
+ENV CONTAINER_BUILD=cpu
+
+# Snapshot for CPU Exawind will be generated upon running container
+RUN echo "export SPACK_MANAGER=$SPACK_MANAGER" >> /etc/bash.bashrc && \
+    echo "source $SPACK_MANAGER/start.sh && spack-start" >> /etc/bash.bashrc && \
+    echo "spack external find" >> /etc/bash.bashrc && \
+    echo "$SPACK_MANAGER/scripts/create-exawind-snapshot.sh" >> /etc/bash.bashrc && \
+    echo "spack clean -a" >> /etc/bash.bashrc && \
+    echo "spack env activate -d snapshots/exawind/containercpu/$(date +%Y-%m-%d)" >> /etc/bash.bashrc && \
+    echo "spack load exawind" >> /etc/bash.bashrc
+
+
+CMD ["/usr/bin/bash"]

scripts/create-exawind-snapshot.sh

@@ -55,6 +55,8 @@ elif [[ "${SPACK_MANAGER_MACHINE}" == "perlmutter" ]]; then
 elif [[ "${SPACK_MANAGER_MACHINE}" == "snl-hpc" ]]; then
   # TODO we should probably launch the install through slurm and exit on this one
   cmd "nice -n19 spack manager snapshot -s exawind+hypre+openfast amr-wind+hypre+openfast"
+elif [[ "${SPACK_MANAGER_MACHINE}" == "containercpu" ]]; then
+  cmd "nice -n19 spack manager snapshot -m -s exawind%gcc+hypre~cuda"
 else
   cmd "nice -n19 spack manager snapshot -s exawind+hypre+openfast"
 fi

spack-scripting/scripting/cmd/manager_cmds/find_machine.py

@@ -99,6 +99,9 @@ def is_e4s():
     ),
     # General
     "darwin": MachineData(lambda: sys.platform == "darwin", "darwin.nodomain.gov"),
+    "containercpu": MachineData(
+        lambda: os.environ["CONTAINER_BUILD"] == "cpu", "containcpu.nodomain.gov"
+    ),
 }