ADD: first aarch64 system config & envs

env/sles15/aarch64/admin/stable/spack.yaml

@@ -0,0 +1,25 @@
+---
+spack:
+  concretizer:
+    unify: false
+  config:
+    install_tree:
+      root: $spack/opt/spack/stable
+  definitions:
+  - gcc_12.3_mpich:
+    - relion@4.0.1/ve5sish     #+cuda
+  include:
+    - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
+    - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
+  mirrors:
+    local_psi: file:///afs/psi.ch/software/spack/testing
+  modules:
+    default:
+      roots:
+        tcl: $spack/opt/spack/stable/modulefiles
+  specs:
+  - matrix:
+    - [$gcc_12.3_mpich]
+    - ['%gcc@12.3']
+    - [^cray-mpich]
+  view: false

env/sles15/aarch64/admin/testing/spack.yaml

@@ -0,0 +1,19 @@
+spack:
+  concretizer:
+    unify: false
+  config:
+    install_tree:
+      root: $spack/opt/spack/testing
+      # Strongly adviced to avoid problems with buildcaches
+      padded_length: 256
+  include:
+  - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
+  - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
+  mirrors:
+    local_psi: file:///afs/psi.ch/software/spack/testing
+  modules:
+    default:
+      roots:
+        tcl: $spack/opt/spack/testing/modulefiles
+  specs: []
+  view: false

env/sles15/aarch64/admin/unstable/spack.yaml

@@ -0,0 +1,53 @@
+spack:
+  concretizer:
+    unify: false
+  config:
+    install_tree:
+      root: $spack/opt/spack/unstable
+  definitions:
+  - gcc_7.5.0:
+    - visit@3.3.3/fo37wwb
+  - gcc_12.3:
+    - fastqc@0.12.1/eyuqqvf
+    - ffbidx@main/lfacuhw
+    - star@2.7.11a/gdgr2ea
+    - sratoolkit@3.1.1/7oqp6a3
+  - gcc_12.3_mpich:
+    - cp2k@2024.1/2jesise     #~cuda
+    - cp2k@2024.1/zqm5fme     #+cuda
+    - quantum-espresso@7.3.1/n6mulig     #~cuda
+    - opal@2024.1.0/mhg3mdx
+    - py-alphafold@2.3.2/xkw7tfm     #+cuda
+  - gcc_12.3_openmpi:
+    - gromacs@2024.1/3n7qspb     #+cuda
+  - nvhpc_23.9_openmpi:
+    - quantum-espresso@7.3.1/le35al7 #+cuda
+  include:
+  - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
+  - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
+  mirrors:
+    local_psi: file:///afs/psi.ch/software/spack/testing
+  modules:
+    default:
+      roots:
+        tcl: $spack/opt/spack/unstable/modulefiles
+  specs:
+  - matrix:
+    - [$gcc_7.5.0]
+    - ['%gcc@7.5.0']
+  - matrix:
+    - [$gcc_12.3]
+    - ['%gcc@12.3']
+  - matrix:
+    - [$gcc_12.3_mpich]
+    - ['%gcc@12.3']
+    - [^cray-mpich]
+  - matrix:
+    - [$gcc_12.3_openmpi]
+    - ['%gcc@12.3']
+    - [^openmpi]
+  - matrix:
+    - [$nvhpc_23.9_openmpi]
+    - ['%nvhpc@23.9']
+    - [^openmpi]
+  view: false

env/sles15/aarch64/sysconfigs/compilers.yaml

@@ -0,0 +1,64 @@
+compilers:
+- compiler:
+    spec: cce@=17.0.0
+    paths:
+      cc: cc
+      cxx: CC
+      f77: ftn
+      fc: ftn
+    flags: {}
+    operating_system: sles15
+    target: x86_64
+    modules:
+      - libfabric/1.15.2.0
+      - PrgEnv-cray/8.5.0
+      - cce/17.0.0
+    environment: {}
+    extra_rpaths: []
+- compiler:
+    spec: gcc@=12.3
+    paths:
+      cc: /usr/bin/gcc-12
+      cxx: /usr/bin/g++-12
+      f77: /usr/bin/gfortran-12
+      fc: /usr/bin/gfortran-12
+    flags: {}
+    operating_system: sles15
+    target: x86_64
+    modules:
+      - libfabric/1.15.2.0
+      - PrgEnv-gnu/8.5.0
+      - gcc-native/12.3
+    environment: {}
+    extra_rpaths: []
+- compiler:
+    spec: gcc@=7.5.0
+    paths:
+      cc: /usr/bin/gcc
+      cxx: /usr/bin/g++
+      f77: /usr/bin/gfortran
+      fc: /usr/bin/gfortran
+    flags: {}
+    operating_system: sles15
+    target: x86_64
+    modules:
+    - libfabric/1.15.2.0
+    environment: {}
+    extra_rpaths: []
+- compiler:
+    spec: nvhpc@=23.9
+    paths:
+      cc: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvc
+      cxx: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvc++
+      f77: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvfortran
+      fc: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvfortran
+    flags: {}
+    operating_system: sles15
+    target: x86_64
+    modules:
+      - nvhpc-nompi/23.9
+      - libfabric/1.15.2.0
+    environment:
+      prepend_path:
+        LD_LIBRARY_PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/math_libs/lib64/stubs
+    extra_rpaths: []

env/sles15/aarch64/sysconfigs/packages.yaml

@@ -0,0 +1,284 @@
+packages:
+  all:
+    compiler: [gcc@12.3, cce, nvhpc]
+    providers:
+      blas: [cray-libsci, openblas, nvhpc]
+      lapack: [cray-libsci, openblas, nvhpc]
+      mpi: [cray-mpich, openmpi]
+      pkgconfig: [pkg-config]
+      scalapack: [cray-libsci]
+    require:
+      - spec: "os=sles15"
+      - spec: "target=x86_64"
+        when: "%gcc"
+      - spec: "target=zen3"
+        when: "%nvhpc"
+    # Grace Hopper arch
+    variants:
+      - cuda_arch=80
+  berkeley-db:
+    require: '%gcc@7.5.0'
+  boost:
+    require: '%gcc@7.5.0'
+  ca-certificates-mozilla:
+    require: '%gcc@7.5.0'
+  cairo:
+    require: '%gcc@7.5.0'
+  cmake:
+    require: '%gcc@7.5.0'
+  coreutils:
+    require: '%gcc@7.5.0'
+  cray-libsci:
+    buildable: false
+    externals:
+      - modules:
+        - cray-libsci
+        prefix: /opt/cray/pe/libsci/23.12.5/cray/17.0/x86_64
+        spec: cray-libsci@23.12.5%cce@17.0.0 +mpi +openmp
+      - modules:
+        - cray-libsci
+        prefix: /opt/cray/pe/libsci/23.12.5/GNU/12.3/x86_64/
+        spec: cray-libsci@23.12.5%gcc@12.3 +mpi +openmp
+  cray-mpich:
+    buildable: false
+    externals:
+      - modules:
+          - cray-mpich
+        prefix: /opt/cray/pe/mpich/8.1.28/ofi/cray/17.0
+        spec: cray-mpich@8.1.28%cce@17.0.0
+      - modules:
+          - cray-mpich
+        prefix: /opt/cray/pe/mpich/8.1.28/ofi/gnu/12.3
+        spec: cray-mpich@8.1.28%gcc@12.3
+  cray-pmi:
+    buildable: false
+    externals:
+      - modules:
+          - cray-pmi
+        prefix: /opt/cray/pe/pmi/6.1.13
+        spec: cray-pmi@6.1.13%gcc
+  cuda:
+    prefer:
+    - spec: '@12.2.0'
+    require: '@12.2.0:'
+    externals:
+      - modules:
+          - nvhpc-nompi/23.9
+        prefix: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/cuda
+        spec: cuda@12.2.0%nvhpc@23.9
+  curl:
+    require: '%gcc@7.5.0'
+  expat:
+    require: '%gcc@7.5.0'
+  fftw:
+    externals:
+      - modules:
+        - cray-fftw/3.3.10.6
+        prefix: /opt/cray/pe/fftw/3.3.10.6/x86_64
+        spec: fftw@3.3.10.6+mpi+openmp~pfft_patches precision=double,float%gcc@12.3
+  findutils:
+    require: '%gcc@7.5.0'
+  flex:
+    require: '%gcc@7.5.0'
+  fltk:
+    require: '%gcc@7.5.0'
+  fontconfig:
+    require: '%gcc@7.5.0'
+  gawk:
+    require: '%gcc@7.5.0'
+  gcc:
+    require: '%gcc@7.5.0'
+  gdbm:
+    require: '%gcc@7.5.0'
+  gettext:
+    externals:
+      - prefix: /usr
+        spec: 'gettext@0.20.2'
+  git:
+    require: '%gcc@7.5.0'
+  gmake:
+    require: '%gcc@7.5.0'
+  groff:
+    require: '%gcc@7.5.0'
+  gtkplus:
+    require: 'default_library=shared,static'
+  hdf5:
+    prefer:
+      - spec: '~mpi'
+    externals:
+      - modules:
+        - cray-hdf5/1.12.2.9
+        prefix: /opt/cray/pe/hdf5/1.12.2.9/crayclang/17.0
+        spec: hdf5@1.12.2+cxx+fortran+hl~mpi+shared~szip~threadsafe%cce@17.0.0
+      - modules:
+        - cray-parallel-hdf5/1.12.2.9
+        prefix: /opt/cray/pe/hdf5-parallel/1.12.2.9/crayclang/17.0
+        spec: hdf5@1.12.2+cxx+fortran+hl+mpi+shared~szip~threadsafe%cce@17.0.0
+      - modules:
+        - cray-hdf5/1.12.2.9
+        prefix: /opt/cray/pe/hdf5/1.12.2.9/gnu/12.3
+        spec: hdf5@1.12.2+cxx+fortran+hl~mpi+shared~szip~threadsafe%gcc@12.3
+      - modules:
+        - cray-parallel-hdf5/1.12.2.9
+        prefix: /opt/cray/pe/hdf5-parallel/1.12.2.9/gnu/12.3
+        spec: hdf5@1.12.2+cxx+fortran+hl+mpi+shared~szip~threadsafe%gcc@12.3
+  libbsd:
+    require: '%gcc@7.5.0'
+  libevent:
+    require: '%gcc@7.5.0'
+  # Crayism
+  libfabric:
+    buildable: false
+    externals:
+      - modules:
+          - libfabric/1.15.2.0
+        prefix: /opt/cray/libfabric/1.15.2.0
+        spec: libfabric@1.15.2.0
+  libiconv:
+    require: '%gcc@7.5.0'
+  libidn2:
+    require: '%gcc@7.5.0'
+  libmd:
+    require: '%gcc@7.5.0'
+  libpciaccess:
+    require: '%gcc@7.5.0'
+  libsigsegv:
+    require: '%gcc@7.5.0'
+  libtool:
+    require: '%gcc@7.5.0'
+  libxml2:
+    require: '%gcc@7.5.0'
+  llvm:
+    require: '%gcc@7.5.0'
+  m4:
+    require: '%gcc@7.5.0'
+  munge:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: munge@0.5.15
+  ncurses:
+    require: '%gcc@7.5.0'
+  netcdf-c:
+    externals:
+      - modules:
+        - cray-netcdf/4.9.0.9
+        prefix: /opt/cray/pe/netcdf/4.9.0.9/crayclang/17.0
+        spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared%cce@17.0.0
+      - modules:
+        - cray-netcdf-hdf5parallel/4.9.0.9
+        prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.9/crayclang/17.0
+        spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared%cce@17.0.0
+      - modules:
+        - cray-netcdf/4.9.0.9
+        prefix: /opt/cray/pe/netcdf/4.9.0.9/gnu/12.3
+        spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared%gcc@12.3
+      - modules:
+        - cray-netcdf-hdf5parallel/4.9.0.9
+        prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.9/gnu/12.3
+        spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared%gcc@12.3
+  netcdf-fortran:
+    externals:
+      - modules:
+        - cray-netcdf/4.9.0.9
+        prefix: /opt/cray/pe/netcdf/4.9.0.9/crayclang/17.0
+        spec: netcdf-fortran@4.9.0.9~doc+shared%cce@17.0.0
+      - modules:
+        - cray-netcdf/4.9.0.9
+        prefix: /opt/cray/pe/netcdf/4.9.0.9/gnu/12.3
+        spec: netcdf-fortran@4.9.0.9~doc+shared%gcc@12.3
+  ninja:
+    require: '%gcc@7.5.0'
+  numactl:
+    require: '%gcc@7.5.0'
+  nvhpc:
+    externals:
+      - modules:
+        - nvhpc-nompi/23.9
+        spec: nvhpc@23.9
+  opal:
+    require:
+      - spec: '%gcc'
+      - message: Opal 2022.1.0 only builds with gcc@10.4.0
+        spec: '%gcc@10.4.0 ^openmpi'
+        when: '@2022.1.0'
+  opengl:
+    require: '%gcc@7.5.0'
+  openldap:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: openldap@2.4.46
+  openmpi:
+    require:
+      - spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cxx_exceptions +cuda +legacylaunchers'
+        when: '%gcc'
+      - spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cuda +legacylaunchers'
+        when: '%nvhpc'
+  openssh:
+    require: '%gcc@7.5.0'
+  openssl:
+    require: '%gcc@7.5.0'
+  parallel-netcdf:
+    externals:
+      - modules:
+        - cray-parallel-netcdf/1.12.3.9
+        prefix: /opt/cray/pe/parallel-netcdf/1.12.3.9/crayclang/17.0
+        spec: parallel-netcdf@1.12.3.9+cxx+fortran%cce@17.0.0
+      - modules:
+        - cray-parallel-netcdf/1.12.3.9
+        prefix: /opt/cray/pe/parallel-netcdf/1.12.3.9/gnu/12.3
+        spec: parallel-netcdf@1.12.3.9+cxx+fortran%gcc@12.3
+  perl:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: perl@5.26.1
+  pkg-config:
+    require: '%gcc@7.5.0'
+  pkgconf:
+    require: '%gcc@7.5.0'
+  py-fypp:
+    require: '%gcc@7.5.0'
+  python:
+    require: '%gcc@7.5.0'
+  # QE is unable to find out cray-libsci
+  quantum-espresso:
+    require: ~scalapack ^openblas
+  rdma-core:
+    require: '%gcc@7.5.0'
+  readline:
+    require: '%gcc@7.5.0'
+  slurm:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: slurm@23.11.8%gcc@7.5.0 +cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd
+  sqlite:
+    require: '%gcc@7.5.0'
+  tar:
+    require: '%gcc@7.5.0'
+  texinfo:
+    require: '%gcc@7.5.0'
+  unuran:
+    require: '%gcc@7.5.0'
+  util-linux-uuid:
+    require: '%gcc@7.5.0'
+  util-macros:
+    require: '%gcc@7.5.0'
+  xpmem:
+    buildable: false
+    externals:
+      - modules:
+          - xpmem/2.8.2-1.0_3.9__g84a27a5.shasta
+        spec: xpmem@2.8.2-1
+  xxhash:
+    require: '%gcc@7.5.0'
+  xz:
+    externals:
+      - prefix: /usr
+        spec: xz@5.2.3
+  zlib:
+    require: '%gcc@7.5.0'
+  zstd:
+    require: '%gcc@7.5.0'

env/sles15/aarch64/users/stable/spack.yaml

@@ -0,0 +1,13 @@
+spack:
+  concretizer:
+    unify: false
+  include:
+    - $spack/spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml
+    - $spack/spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml
+  include_concrete:
+    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/stable
+  specs: []
+  upstreams:
+    stable:
+      install_tree: $spack/opt/spack/stable
+  view: false

env/sles15/aarch64/users/unstable/spack.yaml

@@ -0,0 +1,16 @@
+spack:
+  concretizer:
+    unify: false
+  include:
+  - $spack/spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml
+  - $spack/spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml
+  include_concrete:
+    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/stable
+    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/unstable
+  specs: []
+  upstreams:
+    stable:
+      install_tree: $spack/opt/spack/stable
+    unstable:
+      install_tree: $spack/opt/spack/unstable
+  view: false