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Add Blackwell (sm100) environment and extend CI for B200/B300
- envs/x86/sm100/: spack.yaml and Dockerfile targeting cuda_arch=100 with CUDA 13.0 - Workflow matrix switched to include entries pairing each arch with its CUDA version - Dockerfile path in CI now dynamic: envs/x86/<gpu_arch>/Dockerfile Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
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‎.github/workflows/build-nvidia.yml‎

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@@ -6,10 +6,12 @@ on:
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- main
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paths:
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- envs/x86/sm70/**
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- envs/x86/sm100/**
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- .github/workflows/build-nvidia.yml
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pull_request:
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paths:
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- envs/x86/sm70/**
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- envs/x86/sm100/**
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- .github/workflows/build-nvidia.yml
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workflow_dispatch:
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strategy:
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fail-fast: false
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matrix:
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gpu_arch: [sm70]
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cuda_version: ["12.4"]
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include:
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- gpu_arch: sm70
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cuda_version: "12.4"
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- gpu_arch: sm100
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cuda_version: "13.0"
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steps:
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- name: Check out repository
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uses: actions/checkout@v4
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uses: docker/build-push-action@v5
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with:
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context: .
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file: envs/x86/sm70/Dockerfile
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file: envs/x86/${{ matrix.gpu_arch }}/Dockerfile
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push: ${{ github.event_name != 'pull_request' }}
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tags: ${{ steps.meta.outputs.tags }}
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build-args: |

‎envs/x86/sm100/Dockerfile‎

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FROM docker.io/rockylinux:9 AS bootstrap
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ARG CUDA_VERSION=13.0
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ENV SPACK_ROOT=/opt/spack \
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CURRENTLY_BUILDING_DOCKER_IMAGE=1 \
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container=docker
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RUN dnf update -y \
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&& dnf install -y epel-release \
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&& dnf update -y \
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&& dnf --enablerepo epel install -y \
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bzip2 \
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cmake \
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curl-minimal \
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file \
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findutils \
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gcc-c++ \
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gcc \
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gcc-gfortran \
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git \
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gnupg2 \
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hg \
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hostname \
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iproute \
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make \
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patch \
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python3 \
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python3-pip \
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python3-setuptools \
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svn \
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unzip \
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xz \
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zstd \
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&& pip3 install boto3 \
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&& rm -rf /var/cache/dnf \
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&& dnf clean all
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# Install CUDA toolkit from NVIDIA repo
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RUN dnf config-manager \
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--add-repo https://developer.download.nvidia.com/compute/cuda/repos/rhel9/x86_64/cuda-rhel9.repo \
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&& dnf clean all \
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&& dnf update -y \
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&& dnf install -y cuda-toolkit-$(echo ${CUDA_VERSION} | tr '.' '-')
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RUN ls -l /usr/local/cuda-${CUDA_VERSION}/include/cuda.h
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RUN mkdir $SPACK_ROOT && cd $SPACK_ROOT && \
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git init --quiet && git remote add origin https://github.com/spack/spack.git && git fetch --depth=1 origin develop && git checkout --detach FETCH_HEAD && \
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mkdir -p $SPACK_ROOT/opt/spack
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RUN ln -s $SPACK_ROOT/share/spack/docker/entrypoint.bash \
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/usr/local/bin/docker-shell \
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&& ln -s $SPACK_ROOT/share/spack/docker/entrypoint.bash \
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/usr/local/bin/interactive-shell \
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&& ln -s $SPACK_ROOT/share/spack/docker/entrypoint.bash \
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/usr/local/bin/spack-env
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RUN mkdir -p /root/.spack \
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&& cp $SPACK_ROOT/share/spack/docker/modules.yaml \
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/root/.spack/modules.yaml \
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&& rm -rf /root/*.* /run/nologin
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# [WORKAROUND]
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# https://superuser.com/questions/1241548/
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# xubuntu-16-04-ttyname-failed-inappropriate-ioctl-for-device#1253889
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RUN [ -f ~/.profile ] \
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&& sed -i 's/mesg n/( tty -s \\&\\& mesg n || true )/g' ~/.profile \
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|| true
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WORKDIR /root
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SHELL ["docker-shell"]
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# Creates the package cache
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RUN spack bootstrap now \
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&& spack bootstrap status --optional \
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&& spack spec hdf5+mpi
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ENTRYPOINT ["/bin/bash", "/opt/spack/share/spack/docker/entrypoint.bash"]
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CMD ["interactive-shell"]
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# Build stage with Spack pre-installed and ready to be used
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FROM bootstrap AS builder
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# What we want to install and how we want to install it
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# is specified in a manifest file (spack.yaml)
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RUN mkdir -p /opt/spack-environment && \
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set -o noclobber \
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&& (echo spack: \
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&& echo ' specs:' \
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&& echo ' - feq-parse@2.2.2' \
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&& echo ' - openmpi@5.0.8 +cuda cuda_arch=100' \
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&& echo ' - hdf5@1.14.5 +fortran +mpi' \
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&& echo ' - cmake@3.31.11'\
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&& echo ' packages:' \
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&& echo ' all:' \
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&& echo ' require:' \
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&& echo ' - target=x86_64_v3' \
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&& echo ' prefer:' \
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&& echo ' - cuda_arch=100' \
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&& echo ' cuda:' \
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&& echo ' buildable: false' \
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&& echo ' externals:' \
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&& echo " - spec: \"cuda@${CUDA_VERSION}\"" \
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&& echo " prefix: \"/usr/local/cuda-${CUDA_VERSION}\"" \
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&& echo '' \
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&& echo ' concretizer:' \
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&& echo ' unify: true' \
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&& echo ' config:' \
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&& echo ' install_tree:' \
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&& echo ' root: /opt/software' \
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&& echo ' view: /opt/views/view') > /opt/spack-environment/spack.yaml
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# Apply feq-parse patch to add "c" build dependency
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COPY ./envs/x86/sm100/feq-parse.patch /tmp/feq-parse.patch
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#
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RUN SPACK_PKGS_ROOT=$(spack repo list | awk '{print $NF}') &&\
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SPACK_BUILTIN_PKGS_ROOT=${SPACK_PKGS_ROOT/repos\/spack_repo\/builtin} &&\
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patch -p1 -d $SPACK_BUILTIN_PKGS_ROOT < /tmp/feq-parse.patch
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# Install the software, remove unnecessary deps
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RUN cd /opt/spack-environment && spack env activate . && spack repo list && spack install --fail-fast && spack gc -y
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# Strip all the binaries
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RUN find -L /opt/views/view/* -type f -exec readlink -f '{}' \; | \
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xargs file -i | \
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grep 'charset=binary' | \
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grep 'x-executable\|x-archive\|x-sharedlib' | \
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awk -F: '{print $1}' | xargs strip
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# Modifications to the environment that are necessary to run
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RUN cd /opt/spack-environment && \
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spack env activate --sh -d . > activate.sh
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# Bare OS image to run the installed executables
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FROM docker.io/rockylinux:9
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COPY --from=builder /opt/spack-environment /opt/spack-environment
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COPY --from=builder /opt/software /opt/software
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RUN dnf update -y \
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&& dnf install -y epel-release \
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&& dnf update -y \
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&& dnf --enablerepo epel install -y \
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bzip2 \
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cmake \
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curl-minimal \
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file \
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findutils \
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gcc-c++ \
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gcc \
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gcc-gfortran \
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lcov
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# Install CUDA runtime libraries
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ARG CUDA_VERSION=13.0
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RUN dnf config-manager \
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--add-repo https://developer.download.nvidia.com/compute/cuda/repos/rhel9/x86_64/cuda-rhel9.repo \
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&& dnf clean all \
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&& dnf update -y \
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&& dnf install -y \
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cuda-libraries-$(echo ${CUDA_VERSION} | tr '.' '-') \
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cuda-nvtx-$(echo ${CUDA_VERSION} | tr '.' '-')
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# paths.view is a symlink, so copy the parent to avoid dereferencing and duplicating it
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COPY --from=builder /opt/views /opt/views
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RUN { \
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echo '#!/bin/sh' \
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&& echo '.' /opt/spack-environment/activate.sh \
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&& echo 'exec "$@"'; \
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} > /entrypoint.sh \
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&& chmod a+x /entrypoint.sh \
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&& ln -s /opt/views/view /opt/view
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LABEL "mpi"="openmpi"
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ENTRYPOINT [ "/entrypoint.sh" ]
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CMD [ "/bin/bash" ]

‎envs/x86/sm100/feq-parse.patch‎

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diff --git a/repos/spack_repo/builtin/packages/feq_parse/package.py b/repos/spack_repo/builtin/packages/feq_parse/package.py
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index e4b960b7..bc0916b9 100644
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--- a/repos/spack_repo/builtin/packages/feq_parse/package.py
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+++ b/repos/spack_repo/builtin/packages/feq_parse/package.py
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@@ -29,6 +29,7 @@ class FeqParse(CMakePackage):
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version("1.0.2", sha256="1cd1db7562908ea16fc65dc5268b654405d0b3d9dcfe11f409949c431b48a3e8")
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depends_on("fortran", type="build") # generated
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+ depends_on("c", type="build") # generated
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depends_on("cmake@3.0.2:", type="build")
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‎envs/x86/sm100/spack.yaml‎

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spack:
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specs:
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- feq-parse@2.2.2
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- openmpi@5.0.8 +cuda cuda_arch=100
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- hdf5@1.14.5 +fortran +mpi
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packages:
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all:
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require:
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- "target=x86_64_v3"
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prefer:
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- "cuda_arch=100"
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container:
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format: docker
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images:
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os: rockylinux:9
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spack:
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ref: v1.0.2
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strip: true
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labels:
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mpi: openmpi

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