FIX: restructure env

env/sles15/x86_64/sysconfigs/compilers.yaml

@@ -0,0 +1,62 @@
+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@=22.3
+    paths:
+      cc: /opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvc
+      cxx: /opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvc++
+      f77: /opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvfortran
+      fc: /opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvfortran
+    flags: {}
+    operating_system: sles15
+    target: x86_64
+    modules:
+      - libfabric/1.15.2.0
+      - nvhpc-nompi/22.3
+    environment: {}
+    extra_rpaths: []

env/sles15/x86_64/sysconfigs/packages.yaml

@@ -0,0 +1,230 @@
+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]
+    target: [x86_64]
+    # Grace Hopper arch
+    variants:
+      - cuda_arch=90
+  amrex:
+    require: '%gcc@7.5.0'
+  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:
+      - prefix: /opt/cray/pe/libsci/23.12.5/GNU/12.3/x86_64/
+        spec: cray-libsci@23.12.5%cce@17.0.0 +mpi +openmp
+      - 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:
+          - PrgEnv-cce/17.0.0
+          - cray-mpich
+        spec: cray-mpich@8.1.28%cce@17.0.0
+      - modules:
+          - PrgEnv-gnu/8.5.0
+          - cray-mpich
+        spec: cray-mpich@8.1.28%gcc@12.3
+  cray-pmi:
+    buildable: false
+    externals:
+      - modules:
+          - cray-pmi
+        spec: cray-pmi@6.1.13%gcc
+  ctffind:
+    require: '%gcc@7.5.0'
+  curl:
+    require: '%gcc@7.5.0'
+  expat:
+    require: '%gcc@7.5.0'
+  fftw:
+    externals:
+      - 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:
+    require: '%gcc@7.5.0'
+  git:
+    require: '%gcc@7.5.0'
+  gmake:
+    require: '%gcc@7.5.0'
+  groff:
+    require: '%gcc@7.5.0'
+  hdf5:
+    externals:
+      - 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
+      - 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
+      - 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
+      - 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
+        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:
+      - 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
+      - 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
+      - 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
+      - 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:
+      - 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
+      - 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'
+  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'
+  openblas:
+    require: '%gcc@7.5.0'
+  opengl:
+    require: '%gcc@7.5.0'
+  openldap:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: openldap@2.4.46
+  openmpi:
+    require:
+      - schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cxx_exceptions +cuda +legacylaunchers
+  openssh:
+    require: '%gcc@7.5.0'
+  openssl:
+    require: '%gcc@7.5.0'
+  parallel-netcdf:
+    externals:
+      - 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
+      - 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@23-11-0-1 +pmix +hwloc +hdf5 +mariadb +pam
+  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/x86_64/users/ffbidx/spack.yaml

@@ -0,0 +1,4 @@
+spack:
+  specs:
+    - ffbidx@main%gcc+python+simple_data_files+simple_data_indexer+test_all cuda_arch=60
+  view: false

env/sles15/x86_64/users/hyquas/spack.yaml

@@ -0,0 +1,10 @@
+spack:
+  specs:
+    - git-lfs
+    - cmake@3.25.2%gcc@12.1.0
+    - openmpi@4.1.5%gcc schedulers=slurm fabrics=auto +pmi +cxx +cxx_exceptions +cuda
+      +legacylaunchers ^slurm +pmix +hwloc +gtk +readline +restd +mariadb
+    - cuda@11.0.2
+    - hyquas@main%gcc+cuda cuda_arch=70 ~mpi+schedule+use_double+micro_bench+eval_pp~disable_assert
+      backend=mix mat_size=7
+  view: false

env/sles15/x86_64/users/opal/spack.yaml

@@ -0,0 +1,9 @@
+spack:
+  repos:
+  - ../../
+  specs:
+  - opal@master%gcc@11.3.0
+  develop:
+    opal:
+      spec: opal@=master
+      path: /home/germann_e/OPAL/src/

env/sles15/x86_64/users/py-hiqsimulator/spack.yaml

@@ -0,0 +1,5 @@
+spack:
+  specs:
+    - openmpi@4.1.5%gcc
+    - py-hiqsimulator@develop%gcc
+  view: false

env/sles15/x86_64/users/stable/spack.yaml

@@ -0,0 +1,17 @@
+spack:
+  concretizer:
+    unify: false
+  config:
+    allow_sgid: false
+    build_stage:
+      - $spack/user/$user/spack-stage
+    install_tree:
+      root: $spack/user/$user/spack-install
+    upstreams:
+      spack-instance-1:
+        install_tree: $spack/opt/spack/stable
+    include:
+    - ../../sysconfigs/packages.yaml
+    - ../../sysconfigs/compilers.yaml
+    specs:
+  view: false