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bmhan12bmhan12
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Try pangea2 spec
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Lines changed: 226 additions & 11 deletions

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‎.github/workflows/docker_build_tpls.yml‎

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@@ -20,11 +20,11 @@ jobs:
2020

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matrix:
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include:
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#- name: Pangea 2 (centos 7.6, gcc 8.3.0, open-mpi 2.1.5, mkl 2019.3)
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# DOCKER_REPOSITORY: geosx/pangea2-gcc8.3.0-openmpi2.1.5-mkl2019.3
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# DOCKERFILE: docker/TotalEnergies/Dockerfile
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# DOCKER_ROOT_IMAGE: totogaz/pangea2-gcc8.3.0-openmpi2.1.5-mkl2019.3-no-geosx:0.0.1
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# INSTALL_DIR_ROOT: /workrd/SCR/GEOSX/install/gcc8
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- name: Pangea 2 (centos 7.6, gcc 8.3.0, open-mpi 2.1.5, mkl 2019.3)
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DOCKER_REPOSITORY: geosx/pangea2-gcc8.3.0-openmpi2.1.5-mkl2019.3
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DOCKERFILE: docker/TotalEnergies/Dockerfile
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DOCKER_ROOT_IMAGE: totogaz/pangea2-gcc8.3.0-openmpi2.1.5-mkl2019.3-no-geosx:0.0.1
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INSTALL_DIR_ROOT: /workrd/SCR/GEOSX/install/gcc8
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#- name: Pecan GPU (centos 7.7, gcc 8.2.0, open-mpi 4.0.1, mkl 2019.5, cuda 11.5.119)
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# DOCKER_REPOSITORY: geosx/pecan-gpu-gcc8.2.0-openmpi4.0.1-mkl2019.5-cuda11.5.119
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# DOCKERFILE: docker/TotalEnergies/Dockerfile

‎docker/TotalEnergies/Dockerfile‎

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@@ -15,7 +15,18 @@ RUN yum install -y \
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ca-certificates \
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curl \
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python3 \
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zlib-devel
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zlib-devel \
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# Additional spack dependencies
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python3-pip \
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pkgconfig \
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# xz \
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unzip \
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bzip2 \
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&& pip3 install virtualenv
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# Install clingo for Spack
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RUN python3 -m pip install --upgrade pip && \
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python3 -m pip install clingo
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RUN --mount=src=.,dst=$SRC_DIR $SRC_DIR/docker/install-cmake.sh
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@@ -29,19 +40,50 @@ RUN yum install -y \
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file \
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bison \
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flex \
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patch
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patch \
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# `ca-certificates` needed by `git` to download GEOS repo.
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ca-certificates \
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autoconf \
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automake \
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git
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ARG HOST_CONFIG
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# Clone branch with spack configs
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# TODO decide landing place of spack recipes
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RUN git clone --branch feature/han12/wip_docker_spack_recipes \
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--depth 1 \
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--single-branch \
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https://github.com/GEOS-DEV/GEOS.git
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RUN --mount=src=.,dst=$SRC_DIR $SRC_DIR/docker/configure-tpl.sh
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WORKDIR $BLD_DIR
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RUN --mount=src=.,dst=$SRC_DIR make
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# Run uberenv
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# Have to create install directory first for uberenv
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# -k flag is to ignore SSL errors
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# Remove generated host-config for lvarray
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RUN --mount=src=.,dst=$SRC_DIR cd GEOS && \
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mkdir -p ${GEOSX_TPL_DIR} && \
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git submodule init scripts/uberenv && \
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git submodule update && \
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./scripts/uberenv/uberenv.py \
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--spec "%gcc@8.3.0~pygeosx" \
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--spack-env-file=${SRC_DIR}/docker/total-spack.yaml \
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--project-json=.uberenv_config.json \
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--prefix ${GEOSX_TPL_DIR} \
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-k && \
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# Remove host-config generated for LvArray
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rm lvarray* && \
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# Rename and copy spack-generated host-config to root directory
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cp *.cmake /spack-generated.cmake && \
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# Remove extraneous spack files
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cd ${GEOSX_TPL_DIR} && \
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rm -rf bin/ build_stage/ misc_cache/ spack/ spack-env/ .spack-db/
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FROM tpl_toolchain_intersect_geosx_toolchain AS geosx_toolchain
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ARG SRC_DIR
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COPY --from=tpl_toolchain $GEOSX_TPL_DIR $GEOSX_TPL_DIR
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# Extract the generated host-config
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COPY --from=tpl_toolchain /spack-generated.cmake /
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RUN yum -y install \
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openssh-clients \
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ca-certificates \

‎docker/total-spack.yaml‎

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spack:
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config:
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install_tree:
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root: $spack/..
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projections:
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all: '{compiler.name}-{compiler.version}/{name}-{version}-{hash}'
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misc_cache: $spack/../misc_cache
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test_stage: $spack/../test_stage
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build_stage::
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- $spack/../build_stage
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# Regular TPLs do not need views
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view: false
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compilers::
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# Pangea 2 compiler
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- compiler:
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environment: {}
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extra_rpaths: []
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flags:
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cflags: -pthread
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cxxflags: -pthread
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modules: []
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operating_system: centos7
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paths:
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cc: /data_local/sw/gcc/RHEL7/8.3.0/bin/gcc
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cxx: /data_local/sw/gcc/RHEL7/8.3.0/bin/g++
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f77: /data_local/sw/gcc/RHEL7/8.3.0/bin/gfortran
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fc: /data_local/sw/gcc/RHEL7/8.3.0/bin/gfortran
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spec: gcc@8.3.0
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target: x86_64
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packages:
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all:
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target: [x86_64]
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compiler: [gcc, clang]
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providers:
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blas: [intel-mkl]
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lapack: [intel-mkl]
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mpi: [openmpi]
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blt:
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require: "@git.5a792c1775e7a7628d84dcde31652a689f1df7b5=develop"
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hypre:
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require: "@git.d475cdfc63ac59ea9a554493a06e4033b8d6fade"
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chai:
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require: "@git.6fe3470ad020303530af2f3dbbfe18826bd3319b=develop"
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umpire:
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require: "@git.4bd9b2ded81d3216b3f62e2aad62d0e34fe2c256=develop"
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raja:
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require: "@git.e330b2560747d5417cd7bd265fab3fb91d32ecbd=develop"
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camp:
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require: "@git.ac34c25b722a06b138bc045d38bfa5e8fa3ec9c5=main"
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uncrustify:
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require: "@git.401a4098bce9dcc47e024987403f2d59d9ba7bd2"
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superlu-dist:
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require: "@git.0f6efc377df2440c235452d13d28d2c717f832a1"
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autoconf:
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version: [2.71]
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buildable: false
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externals:
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- spec: autoconf@2.71
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prefix: /usr
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automake:
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version: [1.16.5]
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buildable: false
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externals:
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- spec: automake@1.16.5
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prefix: /usr
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bison:
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version: [3.8.2]
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buildable: false
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externals:
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- spec: bison@3.8.2
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prefix: /usr
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cmake:
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version: [3.23.1]
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buildable: false
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externals:
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- spec: cmake@3.23.1
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prefix: /usr/local
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cuda:
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buildable: False
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externals:
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- spec: cuda@11.8.0 +allow-unsupported-compilers
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prefix: /usr/local/cuda
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flex:
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version: [2.6.4]
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buildable: false
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externals:
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- spec: flex@2.6.4
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prefix: /usr
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# Lock down blas, lapack implementation
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intel-mkl:
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buildable: False
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externals:
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# LC
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#- spec: intel-mkl@2020.0.166 threads=openmp
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# prefix: /usr/tce/packages/mkl/mkl-2020.0/
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# Pangea 2
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- spec: intel-mkl@2019.3.199 threads=openmp
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prefix: /opt/intel/compilers_and_libraries_2019.3.199/linux/mkl/
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blas:
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buildable: false
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lapack:
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buildable: false
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m4:
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buildable: false
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externals:
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- spec: m4@1.4.18
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prefix: /usr
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# Spack may grab for mpi & we don't want to use them
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mpi:
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buildable: false
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#mpfr:
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# buildable: false
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# externals:
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# - spec: mpfr@4.1.0
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# prefix: /usr
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openmpi:
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externals:
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- spec: openmpi@2.1.5%gcc@8.3.0
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prefix: /data_local/sw/OpenMPI/RHEL7/2.1.5/gcc/8.3.0
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perl:
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buildable: false
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externals:
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- spec: perl@5.34.0
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prefix: /usr
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pkg-config:
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buildable: false
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externals:
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- spec: pkg-config@0.29.2
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prefix: /usr
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py-sphinx:
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buildable: false
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externals:
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- spec: py-sphinx@4.3.2
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prefix: /usr
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python:
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buildable: false
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externals:
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- spec: python@3.10.12
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prefix: /usr
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tar:
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buildable: false
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externals:
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- spec: tar@1.34
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prefix: /usr
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unzip:
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buildable: false
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externals:
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- spec: unzip@6.0
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prefix: /usr
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xz:
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buildable: false
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externals:
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- spec: xz@5.2.5
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prefix: /usr

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