Spack Prototype for PSI

2023-04-27 08:06:59 +00:00
parent 8a0d620eb0
commit adb8e3eb09
53 changed files with 91348 additions and 2826 deletions
--- a/env/rhel7/ffbidx/spack.yaml
+++ b/env/rhel7/ffbidx/spack.yaml
@ -0,0 +1,24 @@
+spack:
+  upstreams:
+    spack-instance-1:
+      install_tree: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack
+  config:
+    build_stage:
+    - /scratch/$user/spack-stage
+    install_tree:
+      root: /data/user/$user/spack-install
+  concretizer:
+    unify: true
+  include:
+  - ../sysconfigs/modules.yaml
+  - ../sysconfigs/compilers.yaml
+  - ../sysconfigs/packages.yaml
+  repos:
+  - ../../../
+  specs:
+  - openblas
+  - ffbidx@main%gcc@12.1.0+python+simple_data_files+simple_data_indexer+test_all cuda_arch=60
+  develop:
+    ffbidx:
+      path: /scratch/$user/spack-dev/fast-feedback-indexer
+      spec: ffbidx@main+python+simple_data_files+simple_data_indexer+test_all cuda_arch=60
--- a/env/rhel7/hyquas/spack.lock
+++ b/env/rhel7/hyquas/spack.lock
--- a/env/rhel7/hyquas/spack.yaml
+++ b/env/rhel7/hyquas/spack.yaml
@ -0,0 +1,27 @@
+spack:
+  upstreams:
+    spack-instance-1:
+      install_tree: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack
+  config:
+    build_stage:
+    - /scratch/$user/spack-stage
+    install_tree:
+      root: /data/user/$user/spack-install
+  concretizer:
+    unify: when_possible
+  include:
+  - ../sysconfigs/modules.yaml
+  - ../sysconfigs/compilers.yaml
+  - ../sysconfigs/packages.yaml
+  repos:
+  - ../../../
+  specs:
+  - openmpi@4.0.5%gcc
+  - cuda@11.0.2
+  - hyquas@main%gcc@9.5.0+cuda cuda_arch=70 ~mpi+schedule+use_double+micro_bench+eval_pp~disable_assert
+    backend=mix mat_size=7
+  view: false
+  develop:
+    hyquas:
+      path: /scratch/$user/spack-dev/HyQuas
+      spec: hyquas@main
--- a/env/rhel7/py-hiqsimulator/spack.lock
+++ b/env/rhel7/py-hiqsimulator/spack.lock
--- a/env/rhel7/py-hiqsimulator/spack.yaml
+++ b/env/rhel7/py-hiqsimulator/spack.yaml
@ -0,0 +1,25 @@
+spack:
+  upstreams:
+    spack-instance-1:
+      install_tree: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack
+  config:
+    build_stage:
+    - /scratch/$user/spack-stage
+    install_tree:
+      root: /data/user/$user/spack-install
+  concretizer:
+    unify: true
+  include:
+  - ../sysconfigs/modules.yaml
+  - ../sysconfigs/compilers.yaml
+  - ../sysconfigs/packages.yaml
+  repos:
+  - ../../../
+  specs:
+  - openmpi%gcc@12.1.0
+  - py-hiqsimulator@develop%gcc@12.1.0
+  develop:
+    py-hiqsimulator:
+      path: /scratch/$user/spack-dev/HiQsimulator
+      spec: py-hiqsimulator@develop%gcc@12.1.0
+  view: false
--- a/env/rhel7/py-hiqsimulator/test/run.slurm
+++ b/env/rhel7/py-hiqsimulator/test/run.slurm
@ -0,0 +1,10 @@
+#!/usr/bin/env bash
+ 
+#SBATCH -N 4                                     # 4 nodes are requested
+#SBATCH -t 00:03:00                              # Walltime, 3 minutes
+#SBATCH -n 8                                     # 8 processes are requested
+#SBATCH --ntasks-per-socket=1                    # 1 process per allocated socket
+#SBATCH --hint=compute_bound                     # Use all cores in each socket, one thread per core
+#SBATCH --exclusive                              # node should not be shared with other jobs
+
+mpirun  python3 ./examples/teleport_mpi.py       # Execute program
--- a/env/rhel7/stable/spack.lock
+++ b/env/rhel7/stable/spack.lock
--- a/env/rhel7/stable/spack.yaml
+++ b/env/rhel7/stable/spack.yaml
@ -0,0 +1,54 @@
+spack:
+  concretizer:
+    unify: when_possible
+  config:
+    build_stage:
+    - /scratch/spack/spack-stage
+    install_missing_compilers: true
+  definitions:
+  - gcc_mpi:
+    - ^openmpi%gcc
+  - gcc_6.1.0_pckgs:
+    - trilinos@11.14.3 +mpi+cuda cuda_arch=60 ~tpetra
+  - gcc_12.1.0_pckgs:
+    - gromacs@2022.5 +mpi
+    - h5hut@2.0.0rc3 +mpi
+    - lammps@20221222
+    - quantum-espresso@7.0 hdf5=parallel
+    - trilinos@13.4.1
+  - intel_mpi:
+    - ^intel-oneapi-mpi@2021.8.0
+  - intel_pckgs:
+    - gromacs@2022.5
+  - nvhpc_mpi:
+    - ^openmpi%nvhpc
+  - nvhpc_pckgs:
+    - quantum-espresso@7.0 +mpi+cuda hdf5=parallel
+  include:
+  - ../sysconfigs/packages.yaml
+  - ../sysconfigs/compilers.yaml
+  - ../sysconfigs/modules.yaml
+  specs:
+  - gams@31.1.1
+  - matrix:
+    - [$gcc_6.1.0_pckgs]
+    - [$gcc_mpi]
+    - [^openblas]
+    - ['%gcc@6.1.0']
+  - matrix:
+    - [$gcc_12.1.0_pckgs]
+    - [$gcc_mpi]
+    - [^hdf5%gcc@12.1.0]
+    - [^openblas]
+    - ['%gcc@12.1.0']
+  - matrix:
+    - [$intel_pckgs]
+    - [$intel_mpi]
+    - [^intel-oneapi-mkl]
+    - ['%oneapi@2022.2.1']
+  - matrix:
+    - [$nvhpc_pckgs]
+    - [$nvhpc_mpi]
+    - [^hdf5%nvhpc@23.1]
+    - ['%nvhpc@23.1']
+  view: false
--- a/env/rhel7/sysconfigs/compilers.yaml
+++ b/env/rhel7/sysconfigs/compilers.yaml
@ -0,0 +1,53 @@
+compilers:
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /usr/bin/gcc
+        cxx: /usr/bin/g++
+        f77: /usr/bin/gfortran
+        fc: /usr/bin/gfortran
+      spec: gcc@4.8.5
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/gcc/9.5.0/bin/gcc
+        cxx: /opt/psi/Programming/gcc/9.5.0/bin/g++
+        f77: /opt/psi/Programming/gcc/9.5.0/bin/gfortran
+        fc: /opt/psi/Programming/gcc/9.5.0/bin/gfortran
+      spec: gcc@9.5.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/gcc/12.1.0/bin/gcc
+        cxx: /opt/psi/Programming/gcc/12.1.0/bin/g++
+        f77: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
+        fc: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
+      spec: gcc@12.1.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvc
+        cxx: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvc++
+        f77: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvfortran
+        fc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvfortran
+      spec: nvhpc@23.1
+      target: x86_64
--- a/env/rhel7/sysconfigs/modules.yaml
+++ b/env/rhel7/sysconfigs/modules.yaml
@ -0,0 +1,108 @@
+modules:
+  default:
+    tcl:
+      hash_length: 3
+      projections:
+        all: '{name}/{version}-{compiler.name}-{compiler.version}'
+      exclude: ['at-spi2-atk', 'at-spi2-core', 'libxft', 'atk', 'libxi', 'libxkbcommon',' libxkbfile', 'bdftopcf','berkeley-db',
+      'libxrandr','bison@3.8.2', 'libxrender','libxslt','bzip2','libxtst','cairo','libyaml','libzmq','dbus','diffutils','mkfontdir',
+      'docbook-xml', 'mkfontscale','docbook-xsl','msgpack-c', 'elfutils', 'munge','expat', 'ncurses','fixesproto', 'numactl', 'flex',
+      'font-util', 'fontconfig', 'fontsproto','freetype', 'pango', 'gawk', 'pcre', 'pcre2', 'gdbm', 'gdk-pixbuf', 'gettext', 'glib',
+      'gobject-introspection', 'gperf','gtkplus', 'harfbuzz','http-parser', 'inputproto', 'intltool','jansson','jemalloc','json-c',
+      'json-glib','kbproto', 'pixman', 'pkg-config', 'pmix', 'libaio', 'libbsd', 'libedit','libepoxy','libevent','libffi','libfontenc',
+      'libgcrypt','libgpg-error','libice','libiconv', 'libidn2','libjwt', 'libmd',' randrproto', 'readline', 'recordproto','renderproto',
+       'shared-mime-info', 'sqlite','libpciaccess','libpthread-stubs', 'libsm','libsodium','libtool', 'libunistring', 'libx11', 'libxau',
+       'lixcb', 'util-linux-uuid', 'util-macros', 'xcb-proto', 'xextproto', 'xkbcomp','xkbdata','xmlto','xproto','xrandr','xz','zlib',
+       'libxcrypt', 'libxdmcp', 'libxext', 'libxfixes', 'xtrans', 'zstd', 'librsvg', 'libxfont', 'libxcb', 'fribidi', 'kokkos-nvcc-wrapper']
+      all:
+        autoload: direct
+        conflict:
+          - '{name}'
+        environment:
+          set:
+            ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
+            ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
+            ${PACKAGE}_VERSION: '{version}'
+      intel-oneapi-mpi:
+        environment:
+          set:
+            I_MPI_CXX: 'mpiicpc'
+            I_MPI_F77: 'mpiifort'
+            I_MPI_F90: 'mpiifort'
+            I_MPI_FC: 'mpiifort'
+            I_MPI_ICC: 'mpiicc'
+            MPIEXEC: 'mpiexec.hydra'
+            MPIFC: 'mpiifort'
+            MPIFORTRAN: 'mpiifort'
+            MPIRUN: 'mpirun'
+      mpich:
+        environment:
+          set:
+            MPIEXEC: ${prefix}/bin/mpiexec
+            MPIFC: ${prefix}/bin/mpif90
+            MPIFORTRAN: ${prefix}/bin/mpif90
+            MPIRUN: ${prefix}/bin/mpirun
+      openblas:
+        environment:
+          set:
+            BLASLIB: ${prefix}/libopenblas.a
+      openmpi:
+        environment:
+          set:
+            MPIEXEC: ${prefix}/bin/mpiexec
+            MPIFC: ${prefix}/bin/mpif90
+            MPIFORTRAN: ${prefix}/bin/mpif90
+            MPIRUN: ${prefix}/bin/mpirun
+      root:
+        environment:
+          set:
+            ROOTSYS: ${prefix}
+      cuda:
+        environment:
+          prepend_path:
+            ${PACKAGE}_PATH: '{prefix}'
+            LIBRARY_PATH: '{prefix}/lib64/stubs'
+            LIBRARY_PATH: '{prefix}/targets/x86_64-linux/lib/stubs'
+          set:
+            ${PACKAGE}_DIR: '{prefix}'
+            ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
+            ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
+            ${PACKAGE}_PATH: '{prefix}'
+            ${PACKAGE}_VERSION: '{version}'
+      hdf5~mpi:
+        environment:
+          set:
+            ${PACKAGE}_DIR: '{prefix}'
+            ${PACKAGE}_HOME: '{prefix}'
+            ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
+            ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
+            ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib64'
+            ${PACKAGE}_PREFIX: '{prefix}'
+            ${PACKAGE}_ROOT: '{prefix}'
+            ${PACKAGE}_VERSION: '{version}'
+  prefix_inspections:
+    '':
+      - CMAKE_PREFIX_PATH
+    bin:
+      - PATH
+    include:
+      - C_INCLUDE_PATH
+      - CPLUS_INCLUDE_PATH
+    lib:
+      - LIBRARY_PATH
+      - LD_LIBRARY_PATH
+    lib/pkgconfig:
+      - PKG_CONFIG_PATH
+    lib64:
+      - LIBRARY_PATH
+      - LD_LIBRARY_PATH
+    lib64/pkgconfig:
+      - PKG_CONFIG_PATH
+    man:
+      - MANPATH
+    share/aclocal:
+      - ACLOCAL_PATH
+    share/man:
+      - MANPATH
+    share/pkgconfig:
+      - PKG_CONFIG_PATH
--- a/env/rhel7/sysconfigs/packages.yaml
+++ b/env/rhel7/sysconfigs/packages.yaml
@ -0,0 +1,369 @@
+---
+packages:
+  '%gcc':
+    require: '%gcc@4.8.5'
+  '%nvhpc':
+    require: '%nvhpc'
+  '%oneapi':
+    require: '%oneapi'
+  all:
+    providers:
+      pkgconfig: [ pkg-config ]
+    target:
+      - haswell
+  autoconf:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: autoconf@2.69
+  automake:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: automake@1.13.4
+  berkeley-db:
+    require: '%gcc@4.8.5'
+  binutils:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: binutils@2.27.44
+  boost:
+    require: '%gcc@4.8.5'
+  bzip2:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: bzip2@1.0.6
+  ca-certificates-mozilla:
+    require: '%gcc@4.8.5'
+  cairo:
+    require: '%gcc@4.8.5'
+  cmake:
+    require: '@3.25.2%gcc@4.8.5'
+  coreutils:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: coreutils@8.22
+  cpio:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: cpio@2.11
+
+  ctffind:
+    require: '%gcc@4.8.5'
+  cuda:
+    externals:
+      - prefix: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/cuda/
+        spec: cuda@12.0.0%nvhpc@23.1
+  curl:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: curl@7.29.0+ldap
+  cvs:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: cvs@1.11.23
+  diffutils:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: diffutils@3.3
+  doxygen:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: doxygen@1.8.5+graphviz~mscgen
+  expat:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: expat@1.6.0
+  file:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: file@5.11
+  findutils:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: findutils@4.5.11
+  flex:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: flex@2.5.37+lex
+  fltk:
+    require: '%gcc@4.8.5'
+  fontconfig:
+    require: '%gcc@4.8.5'
+  gams:
+    buildable: false
+    externals:
+      - prefix: /opt/psi/Tools/GAMS/31.1.1/gams31.1_linux_x64_64_sfx
+        spec: gams@31.1.1%gcc@4.8.5
+  gawk:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: gawk@4.0.2
+  gdbm:
+    require: '%gcc@4.8.5'
+  gettext:
+    require: '%gcc@4.8.5'
+  ghostscript:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: ghostscript@9.25
+  git:
+    require: '%gcc@4.8.5'
+    externals:
+      - prefix: /usr
+        spec: git@1.8.3.1~tcltk
+  glew:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: glew@1.10.0
+  gmake:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: gmake@3.82
+  groff:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: groff@1.22.2
+  harfbuzz:
+    require: '@5.1.0%gcc@12.1.0'
+  hcoll:
+    buildable: false
+    externals:
+      - prefix: /opt/mellanox/hcoll
+        spec: hcoll@3.9.1927
+  libbsd:
+    require: '%gcc@4.8.5'
+  libcroco:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libcroco@0.6.13
+  libepoxy:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libepoxy@0.0.0
+  libevent:
+    require: '%gcc@4.8.5'
+  libfuse:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libfuse@3.6.1
+  libice:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libice@6.3.0
+  libiconv:
+    require: '%gcc@4.8.5'
+  libidn2:
+    require: '%gcc@4.8.5'
+  libjpeg-turbo:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libjpeg-turbo@62.1.0
+  libmd:
+    require: '%gcc@4.8.5'
+  libpciaccess:
+    require: '%gcc@4.8.5'
+  libpthread:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libpthread@2.17
+  libpthread-stubs:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libpthread-stubs@0.4
+  libreadline:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libreadline@6.2
+  librsvg:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: librsvg@2.40.20
+  libsigsegv:
+    require: '%gcc@4.8.5'
+  libtiff:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libtiff@5.2.0
+  libtool:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libtool@2.4.2
+  libx11:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libx11@6.3.0
+  libxext:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libxext@6.4.0
+  libxft:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libxft@2.3.2
+  libxml2:
+    require: '%gcc@4.8.5'
+  libxpm:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libxpm@4.11.0
+  libxt:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libxt@6.0.0
+  m4:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: m4@1.4.16
+  ncurses:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: ncurses@5.9.20130511
+  ninja:
+    require: '%gcc@4.8.5'
+  nlohmann-json:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: nlohmann-json@3.10.5
+  numactl:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: numactl@2.0.14
+  openblas:
+    require: '%gcc@4.8.5'
+  openmpi:
+    externals:
+      - prefix: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/comm_libs/openmpi4/openmpi-4.0.5
+        spec: openmpi@4.0.5%nvhpc@23.1
+    require: 
+    - one_of: [
+        "openmpi@4.1.5%gcc schedulers=slurm fabrics=auto +pmi +cxx +cxx_exceptions +cuda +legacylaunchers",
+        "openmpi@4.0.5%gcc schedulers=slurm fabrics=auto +pmi +cxx +cxx_exceptions +cuda +legacylaunchers",
+        "openmpi@4.0.5%gcc",
+        "openmpi@4.0.5%nvhpc@23.1"
+    ]
+  openssh:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: openssh@7.4p1
+  openssl:
+    externals:
+      - prefix: /usr
+        spec: openssl@1.0.2k-fips
+  pcre2:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: pcre2@8.32
+  perl:
+    require: '%gcc@4.8.5'
+  pkg-config:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: pkg-config@0.27.1
+  py-fypp:
+    require: '%gcc@4.8.5'
+  python:
+    require: '%gcc@4.8.5'
+  readline:
+    require: '%gcc@4.8.5'
+  rsync:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: rsync@3.1.2
+  ruby:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: ruby@2.0.0p648
+  sed:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: sed@4.2.2
+  slurm:
+    require: '+pmix +hwloc +gtk +readline +restd +mariadb'
+  sqlite:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: sqlite@3.7.17
+  subversion:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: subversion@1.7.14
+  tar:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: tar@1.26
+  texinfo:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: texinfo@5.1
+  unuran:
+    require: '%gcc@4.8.5'
+  util-linux-uuid:
+    require: '%gcc@4.8.5'
+  util-macros:
+    require: '%gcc@4.8.5'
+  valgrind:
+    require: '%gcc@4.8.5'
+  xerces-c:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: xerces-c@3.1
+  xxhash:
+    require: '%gcc@4.8.5'
+  xz:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: xz@5.2.2
+  zlib:
+    require: '%gcc@4.8.5'
+  zstd:
+    require: '%gcc@4.8.5'
--- a/env/rhel7/unstable/spack.lock
+++ b/env/rhel7/unstable/spack.lock
--- a/env/rhel7/unstable/spack.yaml
+++ b/env/rhel7/unstable/spack.yaml
@ -0,0 +1,140 @@
+spack:
+  config:
+    build_stage:
+    - /scratch/spack/spack-stage
+    install_missing_compilers: true
+  concretizer:
+    unify: when_possible
+  include:
+  - ../sysconfigs/packages.yaml
+  - ../sysconfigs/compilers.yaml
+  - ../sysconfigs/modules.yaml
+  definitions:
+  - gcc_mpi:
+    - ^openmpi%gcc
+  - gcc_6.1.0_pckgs:
+    - trilinos +mpi+cuda cuda_arch=60 ~tpetra
+  - gcc_12.1.0_pckgs:
+    - gromacs +mpi
+    - h5hut +mpi
+    - lammps
+    - quantum-espresso hdf5=parallel
+    - trilinos
+  - intel_mpi:
+    - ^intel-oneapi-mpi@2021.8.0
+  - intel_pckgs:
+    - gromacs@2022.4
+  - nvhpc_mpi:
+    - ^openmpi%nvhpc
+  - nvhpc_pckgs:
+    - quantum-espresso +mpi+cuda hdf5=parallel
+  specs:
+  - matrix:
+    - [$gcc_12.1.0_pckgs]
+    - [$gcc_mpi]
+    - [^hdf5%gcc@12.1.0]
+    - [^openblas]
+    - ['%gcc@12.1.0']
+  - matrix:
+    - [$intel_pckgs]
+    - [$intel_mpi]
+    - [^intel-oneapi-mkl]
+    - ['%oneapi@2022.2.1']
+  - matrix:
+    - [$nvhpc_pckgs]
+    - [$nvhpc_mpi]
+    - [^hdf5%nvhpc@23.1]
+    - ['%nvhpc@23.1']
+  view: false
+  compilers:
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /usr/bin/gcc
+        cxx: /usr/bin/g++
+        f77: /usr/bin/gfortran
+        fc: /usr/bin/gfortran
+      spec: gcc@4.8.5
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/gcc/6.1.0/bin/gcc
+        cxx: /opt/psi/Programming/gcc/6.1.0/bin/g++
+        f77: /opt/psi/Programming/gcc/6.1.0/bin/gfortran
+        fc: /opt/psi/Programming/gcc/6.1.0/bin/gfortran
+      spec: gcc@6.1.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/gcc/12.1.0/bin/gcc
+        cxx: /opt/psi/Programming/gcc/12.1.0/bin/g++
+        f77: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
+        fc: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
+      spec: gcc@12.1.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvc
+        cxx: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvc++
+        f77: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvfortran
+        fc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvfortran
+      spec: nvhpc@23.1
+      target: x86_64
+  - compiler:
+      spec: gcc@4.8.5
+      paths:
+        cc: /usr/bin/gcc
+        cxx: /usr/bin/g++
+        f77: /usr/bin/gfortran
+        fc: /usr/bin/gfortran
+      flags: {}
+      operating_system: rhel7
+      target: x86_64
+      modules: []
+      environment: {}
+      extra_rpaths: []
+  - compiler:
+      spec: dpcpp@2022.2.1
+      paths:
+        cc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/icx
+        cxx: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/dpcpp
+        f77: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/ifx
+        fc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/ifx
+      flags: {}
+      operating_system: rhel7
+      target: x86_64
+      modules: []
+      environment: {}
+      extra_rpaths: []
+  - compiler:
+      spec: oneapi@2022.2.1
+      paths:
+        cc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/icx
+        cxx: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/icpx
+        f77: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/ifx
+        fc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/ifx
+      flags: {}
+      operating_system: rhel7
+      target: x86_64
+      modules: []
+      environment: {}
+      extra_rpaths: []