Add frontier as a supported machine

mache/machines/frontier.cfg

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+# Options related to deploying an e3sm-unified conda environment on supported
+# machines
+[e3sm_unified]
+
+# the unix group for permissions for the e3sm-unified conda environment
+group = cli115
+
+# the compiler set to use for system libraries and MPAS builds
+compiler = gnu
+
+# the system MPI library to use for intel18 compiler
+mpi = mpich
+
+# the path to the directory where activation scripts, the base environment, and
+# system libraries will be deployed
+base_path = /lustre/orion/cli115/world-shared/software/e3sm-unified
+
+# whether to use system modules for hdf5, netcdf-c, netcdf-fortran and pnetcdf
+# (spack modules are used otherwise)
+use_system_hdf5_netcdf = True
+
+
+# config options related to data needed by diagnostics software such as
+# e3sm_diags and MPAS-Analysis
+[diagnostics]
+
+# The base path to the diagnostics directory
+base_path = /lustre/orion/cli115/world-shared/diagnostics
+
+# the unix group for permissions for diagnostics
+group = cli115
+
+
+# The parallel section describes options related to running jobs in parallel
+[parallel]
+
+# parallel system of execution: slurm, cobalt or single_node
+system = slurm
+
+# whether to use mpirun or srun to run a task
+parallel_executable = srun
+
+# cores per node on the machine
+cores_per_node = 56
+
+# account for running diagnostics jobs
+account = cli115
+
+# available partition(s) (default is the first)
+partitions = batch
+
+
+# config options related to synchronizing files
+[sync]
+
+# the full hostname of the machine
+hostname = frontier.olcf.ornl.gov

mache/spack/frontier_gnu_mpich.csh

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+module reset >& /dev/null
+module switch PrgEnv-cray PrgEnv-gnu/8.3.3 >& /dev/null
+module switch gcc gcc/11.2.0 >& /dev/null
+
+{% if e3sm_lapack %}
+module load cray-libsci/22.12.1.1
+{% endif %}
+{% if e3sm_hdf5_netcdf %}
+module load cray-hdf5-parallel/1.12.2.1
+module load cray-netcdf-hdf5parallel/4.9.0.1
+module load cray-parallel-netcdf/1.12.3.1
+{% endif %}
+
+{% if e3sm_hdf5_netcdf %}
+setenv NETCDF_C_PATH $CRAY_NETCDF_HDF5PARALLEL_PREFIX
+setenv NETCDF_FORTRAN_PATH $CRAY_NETCDF_HDF5PARALLEL_PREFIX
+setenv PNETCDF_PATH $CRAY_PARALLEL_NETCDF_PREFIX
+{% endif %}
+setenv HDF5_USE_FILE_LOCKING FALSE

mache/spack/frontier_gnu_mpich.sh

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+module reset >& /dev/null
+module switch PrgEnv-cray PrgEnv-gnu/8.3.3 >& /dev/null
+module switch gcc gcc/11.2.0 >& /dev/null
+
+{% if e3sm_lapack %}
+module load cray-libsci/22.12.1.1
+{% endif %}
+{% if e3sm_hdf5_netcdf %}
+module load cray-hdf5-parallel/1.12.2.1
+module load cray-netcdf-hdf5parallel/4.9.0.1
+module load cray-parallel-netcdf/1.12.3.1
+{% endif %}
+
+{% if e3sm_hdf5_netcdf %}
+export NETCDF_C_PATH=$CRAY_NETCDF_HDF5PARALLEL_PREFIX
+export NETCDF_FORTRAN_PATH=$CRAY_NETCDF_HDF5PARALLEL_PREFIX
+export PNETCDF_PATH=$CRAY_PARALLEL_NETCDF_PREFIX
+{% endif %}
+export HDF5_USE_FILE_LOCKING=FALSE

mache/spack/frontier_gnu_mpich.yaml

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+spack:
+  specs:
+  - gcc
+  - cray-mpich
+{% if e3sm_lapack %}
+  - cray-libsci
+{% endif %}
+{% if e3sm_hdf5_netcdf %}
+  - hdf5
+  - netcdf-c
+  - netcdf-fortran
+  - parallel-netcdf
+{% endif %}
+{{ specs }}
+  concretizer:
+    unify: when_possible
+  packages:
+    all:
+      compiler: [[email protected]]
+      providers:
+        mpi: [[email protected]]
+{% if e3sm_lapack %}
+        lapack: [[email protected]]
+{% endif %}
+    bzip2:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    curl:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    gettext:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    libxml2:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    ncurses:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    openssl:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    perl:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    python:
+      externals:
+      - spec: [email protected]
+        prefix: /opt/cray/pe/python/3.9.13.1
+        modules:
+        - cray-python/3.9.13.1
+      buildable: false
+    tar:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    xz:
+      externals:
+      - spec: [email protected]
+        prefix: /usr
+      buildable: false
+    gcc:
+      externals:
+      - spec: [email protected]
+        modules:
+        - PrgEnv-gnu/8.3.3
+        - gcc/11.2.0
+        - craype/2.7.19
+        - libfabric/1.15.2.0
+      buildable: false
+    cray-mpich:
+      externals:
+      - spec: [email protected]
+        prefix: /opt/cray/pe/mpich/8.1.23/ofi/gnu/9.1
+        modules:
+        - libfabric/1.15.2.0
+        - cray-mpich/8.1.23
+      buildable: false
+    libfabric:
+      externals:
+      - spec: [email protected]
+        prefix: /opt/cray/libfabric/1.15.2.0
+        modules:
+        - libfabric/1.15.2.0
+      buildable: false
+{% if e3sm_lapack %}
+    cray-libsci:
+      externals:
+      - spec: [email protected]
+        prefix: /opt/cray/pe/libsci/22.12.1.1/GNU/9.1/x86_64
+        modules:
+        - cray-libsci/22.12.1.1
+      buildable: false
+{% endif %}
+{% if e3sm_hdf5_netcdf %}
+    hdf5:
+      externals:
+      - spec: [email protected]~cxx+fortran+hl~java+mpi+shared
+        prefix: /opt/cray/pe/hdf5-parallel/1.12.2.1/GNU/9.1
+      buildable: false
+    parallel-netcdf:
+      externals:
+      - spec: [email protected]+cxx+fortran+pic+shared
+        prefix: /opt/cray/pe/parallel-netcdf/1.12.3.1/GNU/9.1/
+      buildable: false
+    netcdf-c:
+      externals:
+      - spec: [email protected]+mpi~parallel-netcdf
+        prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.1/GNU/9.1
+      buildable: false
+    netcdf-fortran:
+      externals:
+      - spec: [email protected] ^netcdf-c+mpi
+        prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.1/GNU/9.1
+      - spec: [email protected] ^netcdf-c~mpi
+        prefix: /opt/cray/pe/netcdf/4.9.0.1/GNU/9.1
+      buildable: false
+{% endif %}
+{% if system_hdf5_netcdf %}
+    hdf5:
+      externals:
+      - spec: [email protected]~cxx+fortran+hl~java+mpi+shared
+        prefix: /opt/cray/pe/hdf5-parallel/1.12.2.1/GNU/9.1
+      - spec: [email protected]~cxx+fortran+hl~java~mpi+shared
+        prefix: /opt/cray/pe/hdf5/1.12.2.1/GNU/9.1
+      buildable: false
+    parallel-netcdf:
+      externals:
+      - spec: [email protected]+cxx+fortran+pic+shared
+        prefix: /opt/cray/pe/parallel-netcdf/1.12.3.1/GNU/9.1/
+      buildable: false
+    netcdf-c:
+      externals:
+      - spec: [email protected]+mpi~parallel-netcdf
+        prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.1/GNU/9.1
+      - spec: [email protected]~mpi~parallel-netcdf
+        prefix: /opt/cray/pe/netcdf/4.9.0.1/GNU/9.1
+      buildable: false
+    netcdf-fortran:
+      externals:
+      - spec: [email protected] ^netcdf-c+mpi
+        prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.1/GNU/9.1
+      - spec: [email protected] ^netcdf-c~mpi
+        prefix: /opt/cray/pe/netcdf/4.9.0.1/GNU/9.1
+      buildable: false
+{% endif %}
+  config:
+    install_missing_compilers: false
+  compilers:
+  - compiler:
+      spec: [email protected]
+      paths:
+        cc: cc
+        cxx: CC
+        f77: ftn
+        fc: ftn
+      flags: {}
+      operating_system: sles15
+      target: x86_64
+      modules:
+      - PrgEnv-gnu/8.3.3
+      - gcc/11.2.0
+      - craype/2.7.19
+      - libfabric/1.15.2.0
+      environment:
+        prepend_path:
+          PKG_CONFIG_PATH: "/opt/cray/xpmem/2.5.2-2.4_3.45__gd0f7936.shasta/lib64/pkgconfig"