Add spec for tool OTF-CPT to hlrs environment

.gitignore

@@ -0,0 +1,2 @@
+environments/*/.spack-env/
+repos/*/packages/*/__pycache__/

config-hlrs/compilers.yaml

@@ -1,43 +1,45 @@
 compilers:
 - compiler:
-    spec: aocc@=4.1.0
+    spec: cce@=18.0.0
     paths:
-      cc: /opt/hlrs/non-spack/release/23.1.0/compiler/aocc/4.1.0/bin/clang
-      cxx: /opt/hlrs/non-spack/release/23.1.0/compiler/aocc/4.1.0/bin/clang++
-      f77: /opt/hlrs/non-spack/release/23.1.0/compiler/aocc/4.1.0/bin/flang
-      fc: /opt/hlrs/non-spack/release/23.1.0/compiler/aocc/4.1.0/bin/flang
-    flags:
-      cflags: null
-      cxxflags: null
-      fflags: null
-    operating_system: rocky8
-    target: x86_64
-    modules: []
-    environment: {}
-    extra_rpaths: []
-- compiler:
-    spec: gcc@=12.3.0
-    paths:
-      cc: /opt/hlrs/non-spack/release/23.1.0/compiler/gcc/12.3.0/bin/gcc
-      cxx: /opt/hlrs/non-spack/release/23.1.0/compiler/gcc/12.3.0/bin/g++
-      f77: /opt/hlrs/non-spack/release/23.1.0/compiler/gcc/12.3.0/bin/gfortran
-      fc: /opt/hlrs/non-spack/release/23.1.0/compiler/gcc/12.3.0/bin/gfortran
+      cc: cc
+      cxx: CC
+      f77: ftn
+      fc: ftn
     flags: {}
-    operating_system: rocky8
+    operating_system: sles15
     target: x86_64
-    modules: []
+    modules:
+    - PrgEnv-cray
+    - cce/18.0
     environment: {}
     extra_rpaths: []
 - compiler:
-    spec: gcc@=8.5.0
+    spec: gcc@=13.2.1
+    paths:
+      cc: cc
+      cxx: CC
+      f77: ftn
+      fc: ftn
+    flags: {}
+    operating_system: sles15
+    target: x86_64
+    modules:
+    - PrgEnv-gnu
+    - gcc-native/13.2
+    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: rocky8
+    operating_system: sles15
     target: x86_64
     modules: []
     environment: {}
     extra_rpaths: []
+

config-hlrs/config.yaml

@@ -17,6 +17,10 @@ config:
   # Directory where licenses should be located
   license_dir: $spack/../licenses
 
+  # Cache directory for already downloaded source tarballs and archived
+  # repositories. This can be purged with `spack clean --downloads`.
+  source_cache: $user_cache_path/cache
+
 
   # Directory where spack managed environments are created and stored
   environments_root: $spack/../environments

config-hlrs/packages.yaml

@@ -1,93 +1,330 @@
 packages:
   all:
-#    compiler: [gcc@12.3.0, aocc@4.1.0]
-#    compiler: [gcc@8.5.0]
     providers:
-      mpi: [mpt, openmpi]
-      pkgconfig: [pkgconf]
-  openmpi:
+      mpi: [cray-mpich]
+      blas: [cray-libsci]
+      lapack: [cray-libsci]
+      scalapack: [cray-libsci]
+      fftw-api: [cray-fftw]
+      pkgconfig: [pkg-config]
+      zlib-api: [zlib-ng+compat]
+  cray-mpich:
     externals:
-    - spec: openmpi@4.1.6%gcc@=12.3.0~cuda~cxx~cxx_exceptions~java~memchecker+pmi~static~wrapper-rpath
-        fabrics=ucx schedulers=slurm,tm
-      prefix: /opt/hlrs/non-spack/release/23.1.0/mpi/openmpi/4.1.6-gcc-12.3.0
-    - spec: openmpi@4.1.6%aocc@=4.1.0~cuda~cxx~cxx_exceptions~java~memchecker+pmi~static~wrapper-rpath
-        fabrics=ucx schedulers=slurm,tm
-      prefix: /opt/hlrs/non-spack/release/23.1.0/mpi/openmpi/4.1.6-aocc-4.1.0
+    - spec: cray-mpich@8.1.30%gcc
+      prefix: /opt/cray/pe/mpich/8.1.30/ofi/gnu/12.3
+      modules:
+      - libfabric/1.15.2.0
+    - spec: cray-mpich@8.1.30%cce
+      prefix: /opt/cray/pe/mpich/8.1.30/ofi/cray/17.0
+      modules:
+      - libfabric/1.15.2.0
     buildable: false
-  mpt:
+  libfabric:
     externals:
-      # We have to generate compiler-specific modulefiles in order to
-      # e.g. set custom Fortran modules path. It's hence not possible
-      # to use a single spec based on gcc@8.5.0 although a single spec
-      # would be meaningful due to the _prebuilt_ fashion of MPT.
-    - spec: mpt@2.28%gcc@=12.3.0
-      prefix: /opt/hlrs/non-spack/mpi/mpt/mpt-2.28
-    - spec: mpt@2.28%aocc@=4.1.0
-      prefix: /opt/hlrs/non-spack/mpi/mpt/mpt-2.28
-    buildable: False
-  binutils:
+    - spec: libfabric@1.15.2 fabrics=cxi,tcp,udp
+      prefix: /opt/cray/libfabric/1.15.2.0
+    buildable: false
+  cray-libsci:
     externals:
-    - spec: binutils@2.30.123
-      prefix: /usr
+    - spec: cray-libsci@24.03.0%gcc
+      prefix: /opt/cray/pe/libsci/24.03.0/gnu/12.3/x86_64
+      modules:
+      - cray-libsci/24.03.0
+    - spec: cray-libsci@24.03.0%cce
+      prefix: /opt/cray/pe/libsci/24.03.0/cray/17.0/x86_64
+      modules:
+      - cray-libsci/24.03.0
     buildable: false
   python:
     externals:
-    - spec: python@3.6.8+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat~pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib
-      prefix: /usr
+    - spec: python@3.11
+      prefix: /opt/cray/pe/python/3.11.7
+      modules:
+      - cray-python/3.11.7
+      extra_attributes:
+        environment:
+          prepend_path:      # on Redoak cray-python module does not set PYTHONPATH correctly
+            PYTHONPATH: /opt/cray/pe/python/3.11.7/lib/python3.11/site-packages
     buildable: false
-  cmake:
+  py-pip:
     externals:
-    - spec: cmake@3.26.5
-      prefix: /usr
-    buildable: false
-  autoconf:
+    - spec: py-pip@23.2.1
+      modules:
+      - cray-python/3.11.7
+  py-setuptools:
     externals:
-    - spec: autoconf@2.69
-      prefix: /usr
-    buildable: false
-  automake:
+    - spec: py-setuptools@69.0.3
+      modules:
+      - cray-python/3.11.7
+  py-mpi4py:
     externals:
-    - spec: automake@1.16.1
-      prefix: /usr
-    buildable: false
-  bash:
+    - spec: py-mpi4py@3.1.4
+      modules:
+      - cray-python/3.11.7
+  py-numpy:
     externals:
-    - spec: bash@4.4.20
-      prefix: /usr
-    buildable: false
-  berkeley-db:
+    - spec: py-numpy@1.24.4
+      modules:
+      - cray-python/3.11.7
+  py-dask:
     externals:
-    - spec: berkeley-db@5.3.28
-      prefix: /usr
-    buildable: false
-  bison:
+    - spec: py-dask@2023.6.1
+      modules:
+      - cray-python/3.11.7
+  py-scipy:
     externals:
-    - spec: bison@3.0.4
-      prefix: /usr
-    buildable: false
-  bzip2:
+    - spec: py-scipy@1.10.1
+      modules:
+      - cray-python/3.11.7
+  py-pandas:
     externals:
-    - spec: bzip2@1.0.6
-      prefix: /usr
-    buildable: false
-  coreutils:
+    - spec: py-pandas@1.5.3
+      modules:
+      - cray-python/3.11.7
+  fftw:
     externals:
-    - spec: coreutils@8.30
-      prefix: /usr
+    - spec: fftw@3.3.10.7
+      prefix: /opt/cray/pe/fftw/3.3.10.7/x86_64
+      modules:
+      - cray-fftw/3.3.10.7
     buildable: false
-  cpio:
+  hdf5:
     externals:
-    - spec: cpio@2.12
+    - spec: hdf5@1.14.3.1%cce
+      prefix: /opt/cray/pe/hdf5/1.14.3.1/cray/18.0
+      modules:
+      - cray-hdf5/1.14.3.1
+    - spec: hdf5@1.14.3.1%gcc
+      prefix: /opt/cray/pe/hdf5/1.14.3.1/gnu/12.3
+      modules:
+      - cray-hdf5/1.14.3.1      
+    buildable: false
+  netcdf-c:
+    externals:
+    - spec: netcdf-c@4.9.0.13%cce
+      prefix: /opt/cray/pe/netcdf/4.9.0.13/crayclang/18.0
+      modules:
+      - cray-netcdf/4.9.0.13
+    - spec: netcdf-c@4.9.0.13%gcc
+      prefix: /opt/cray/pe/netcdf/4.9.0.13/gnu/12.3
+      modules:
+      - cray-netcdf/4.9.0.13
+    buildable: false
+  netcdf-cxx4:
+    externals:
+    - spec: netcdf-cxx4@4.9.0.13%cce
+      prefix: /opt/cray/pe/netcdf/4.9.0.13/crayclang/18.0
+      modules:
+      - cray-netcdf/4.9.0.13
+    - spec: netcdf-cxx4@4.9.0.13%gcc
+      prefix: /opt/cray/pe/netcdf/4.9.0.13/gnu/12.3
+      modules:
+      - cray-netcdf/4.9.0.13  
+    buildable: false
+  netcdf-fortran:
+    externals:
+    - spec: netcdf-fortran@4.9.0.13%cce
+      prefix: /opt/cray/pe/netcdf/4.9.0.13/crayclang/18.0
+      modules:
+      - cray-netcdf/4.9.0.13
+    - spec: netcdf-fortran@4.9.0.13%gcc
+      prefix: /opt/cray/pe/netcdf/4.9.0.13/gnu/12.3
+      modules:
+      - cray-netcdf/4.9.0.13
+    buildable: false
+  parallel-netcdf:
+    externals:
+    - spec: parallel-netcdf@1.12.3.13%cce
+      prefix: /opt/cray/pe/parallel-netcdf/1.12.3.13/crayclang/18.0
+      modules:
+      - cray-parallel-netcdf/1.12.3.13
+    - spec: parallel-netcdf@1.12.3.13%gcc
+      prefix: /opt/cray/pe/parallel-netcdf/1.12.3.13/gnu/12.3
+      modules:
+      - cray-parallel-netcdf/1.12.3.13
+    buildable: false
+# Rocm/hip packages
+# `module load rocm` defaults to v5.5.1 in CPE 24.03, but MI300/gfx942 requires rocm/6+
+  rocsparse:
+    externals:
+    - spec: rocsparse@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  hipsparse:
+    externals:
+    - spec: hipsparse@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  hipsolver:
+    externals:
+    - spec: hipsolver@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  hip:
+    externals:
+    - spec: hip@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  hipblas:
+    externals:
+    - spec: hipblas@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  rocprofiler-dev:
+    externals:
+    - spec: rocprofiler-dev@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  hiprand:
+    externals:
+    - spec: hiprand@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  rocblas:
+    externals:
+    - spec: rocblas@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  hsa-rocr-dev:
+    externals:
+    - spec: hsa-rocr-dev@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  llvm-amdgpu:
+    externals:
+    - spec: llvm-amdgpu@6.1.1
+      modules:
+      - rocm/6.1.1
+      prefix: /opt/rocm-6.1.1/llvm/
+      extra_attributes:
+        compilers:
+          c: /opt/rocm-6.1.1/llvm/bin/clang++
+          cxx: /opt/rocm-6.1.1/llvm/bin/clang++
+    buildable: false
+  rccl:
+    externals:
+    - spec: rccl@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  rocfft:
+    externals:
+    - spec: rocfft@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  comgr:
+    externals:
+    - spec: comgr@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  miopen-hip:
+    externals:
+    - spec: miopen-hip@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  migraphx:
+    externals:
+    - spec: migraphx@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  rocsolver:
+    externals:
+    - spec: rocsolver@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  rocrand:
+    externals:
+    - spec: rocrand@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  roctracer-dev:
+    externals:
+    - spec: roctracer-dev@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  rocm-smi-lib:
+    externals:
+    - spec: rocm-smi-lib@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  miopen-opencl:
+    externals:
+    - spec: miopen-opencl@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  rocthrust:
+    externals:
+    - spec: rocthrust@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+  rocprim:
+    externals:
+    - spec: rocprim@6.1.1
+      modules:
+      - rocm/6.1.1
+    buildable: false
+# Packages which have not been discovered by spack external find 
+# and packages which are not in the OS image but low-level.
+# Declare libs as externals only if a -devel OS package is installed
+  elfutils:
+    externals:
+    - spec: elfutils@0.185
       prefix: /usr
     buildable: false
+  numactl:
+    externals:
+    - spec: numactl@2.0.14
+      prefix: /usr
+    buildable: false
+  libxml2:
+    require: '%gcc@7.5'
+  libdwarf:
+    require: '%gcc@7.5'
+  zstd:
+    require: '%gcc@7.5'
+  zlib:     # zlib@1.2.11 is available but deprecated
+    require: '%gcc@7.5'
+  zlib-ng:
+    require: '%gcc@7.5'
+  xz:
+    require: '%gcc@7.5'
+  binutils:
+    require:
+      - '%gcc@7.5'
+      - '+libiberty' 
+  dbus:
+    externals:
+    - spec: dbus@1.12.2
+      prefix: /usr
+    buildable: false
+# packages which have been discovered by spack external find --all
+#  python:    # not a -devel package
+#    externals:
+#    - spec: python@3.6.15+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat~pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib
+#      prefix: /usr
+#    buildable: false
   curl:
     externals:
-    - spec: curl@7.61.1+gssapi+ldap+nghttp2
-      prefix: /usr
-    buildable: false
-  diffutils:
-    externals:
-    - spec: diffutils@3.6
+    - spec: curl@8.0.1+gssapi+ldap+nghttp2
       prefix: /usr
     buildable: false
   dos2unix:
@@ -95,39 +332,14 @@ packages:
     - spec: dos2unix@7.4.0
       prefix: /usr
     buildable: false
-  file:
+  openssl:
     externals:
-    - spec: file@5.33
+    - spec: openssl@1.1.1l
       prefix: /usr
     buildable: false
-  findutils:
+  bzip2:
     externals:
-    - spec: findutils@4.6.0
-      prefix: /usr
-    buildable: false
-  flex:
-    externals:
-    - spec: flex@2.6.1+lex
-      prefix: /usr
-    buildable: false
-  gawk:
-    externals:
-    - spec: gawk@4.2.1
-      prefix: /usr
-    buildable: false
-  gettext:
-    externals:
-    - spec: gettext@0.19.8.1
-      prefix: /usr
-    buildable: false
-  ghostscript:
-    externals:
-    - spec: ghostscript@9.27
-      prefix: /usr
-    buildable: false
-  git:
-    externals:
-    - spec: git@2.39.3~tcltk
+    - spec: bzip2@1.0.8
       prefix: /usr
     buildable: false
   gmake:
@@ -135,116 +347,14 @@ packages:
     - spec: gmake@4.2.1
       prefix: /usr
     buildable: false
-  groff:
+  coreutils:
     externals:
-    - spec: groff@1.22.3
-      prefix: /usr
-    buildable: false
-  hwloc:
-    externals:
-    - spec: hwloc@2.2.0
-      prefix: /usr
-    buildable: false
-  krb5:
-    externals:
-    - spec: krb5@1.18.2
-      prefix: /usr
-    buildable: false
-  libfuse:
-    externals:
-    - spec: libfuse@2.9.7
-      prefix: /usr
-    - spec: libfuse@3.3.0
-      prefix: /usr
-    buildable: false
-  libtool:
-    externals:
-    - spec: libtool@2.4.6
-      prefix: /usr
-    buildable: false
-  lustre:
-    externals:
-    - spec: lustre@2.12.9_ddn38
-      prefix: /usr
-    buildable: false
-  m4:
-    externals:
-    - spec: m4@1.4.18
-      prefix: /usr
-    buildable: false
-  ncurses:
-    externals:
-    - spec: ncurses@6.1.20180224+termlib abi=6
+    - spec: coreutils@8.32
       prefix: /usr
     buildable: false
   openjdk:
     externals:
-    - spec: openjdk@1.8.0_402-b06
-      prefix: /usr
-    buildable: false
-  openssh:
-    externals:
-    - spec: openssh@8.0p1
-      prefix: /usr
-    buildable: false
-  openssl:
-    externals:
-    - spec: openssl@1.1.1k
-      prefix: /usr
-    buildable: false
-  perl:
-    externals:
-    - spec: perl@5.26.3~cpanm+opcode+open+shared+threads
-      prefix: /usr
-    buildable: false
-  pkgconf:
-    externals:
-    - spec: pkgconf@1.4.2
-      prefix: /usr
-    buildable: false
-  rdma-core:
-    externals:
-    - spec: rdma-core@43.0
-      prefix: /usr
-    buildable: false
-  rsync:
-    externals:
-    - spec: rsync@3.1.3
-      prefix: /usr
-    buildable: false
-  sed:
-    externals:
-    - spec: sed@4.5
-      prefix: /usr
-    buildable: false
-  sqlite:
-    externals:
-    - spec: sqlite@3.26.0+fts~functions+rtree
-      prefix: /usr
-    buildable: false
-  subversion:
-    externals:
-    - spec: subversion@1.10.2
-      prefix: /usr
-    buildable: false
-  swig:
-    externals:
-    - spec: swig@3.0.12
-      prefix: /usr
-    buildable: false
-  tar:
-    externals:
-    - spec: tar@1.30
-      prefix: /usr
-    buildable: false
-  which:
-    externals:
-    - spec: which@2.21
-      prefix: /usr
-    buildable: false
-  xz:
-    externals:
-    - spec: xz@5.2.4
+    - spec: openjdk@11.0.19_0-suse-150000.3.96.1-x8664
       prefix: /usr
     buildable: false
   zip:
@@ -252,3 +362,187 @@ packages:
     - spec: zip@3.0
       prefix: /usr
     buildable: false
+  cpio:
+    externals:
+    - spec: cpio@2.13
+      prefix: /usr
+    buildable: false
+  subversion:
+    externals:
+    - spec: subversion@1.14.1
+      prefix: /usr
+    buildable: false
+  lustre:
+    externals:
+    - spec: lustre@2.15.0.7_rc2_cray_25_ga33b7d9
+      prefix: /usr
+    buildable: false
+  bison:
+    externals:
+    - spec: bison@3.0.4
+      prefix: /usr
+    buildable: false
+  git:
+    externals:
+    - spec: git@2.35.3+tcltk
+      prefix: /usr
+    buildable: false
+  go:
+    externals:
+    - spec: go@1.18.10
+      prefix: /usr
+    buildable: false
+  hwloc:
+    externals:
+    - spec: hwloc@2.8.0
+      prefix: /usr
+    buildable: false
+  gnupg:
+    externals:
+    - spec: gnupg@2.2.27
+      prefix: /usr
+    buildable: false
+  rdma-core:
+    externals:
+    - spec: rdma-core@38.3
+      prefix: /usr
+    buildable: false
+  groff:
+    externals:
+    - spec: groff@1.22.4
+      prefix: /usr
+    buildable: false
+  ghostscript:
+    externals:
+    - spec: ghostscript@9.52
+      prefix: /usr
+    buildable: false
+  cvs:
+    externals:
+    - spec: cvs@1.12.13
+      prefix: /usr
+    buildable: false
+  go-bootstrap:
+    externals:
+    - spec: go-bootstrap@1.18.10
+      prefix: /usr
+    buildable: false
+  cmake:
+    require: '%gcc@7.5'
+#    externals:
+#    - spec: cmake@3.20.4
+#      prefix: /usr
+#    buildable: false
+  ncurses:
+    externals:
+    - spec: ncurses@6.1.20180317+termlib abi=6
+      prefix: /usr
+    buildable: false
+  bash:
+    externals:
+    - spec: bash@4.4.23
+      prefix: /usr
+    buildable: false
+  pkg-config:
+    externals:
+    - spec: pkg-config@0.29.2
+      prefix: /usr
+    buildable: false
+  flex:
+    externals:
+    - spec: flex@2.6.4+lex
+      prefix: /usr
+    buildable: false
+  rsync:
+    externals:
+    - spec: rsync@3.2.3
+      prefix: /usr
+    buildable: false
+  sed:
+    externals:
+    - spec: sed@4.4
+      prefix: /usr
+    buildable: false
+  gettext:
+    externals:
+    - spec: gettext@0.20.2
+      prefix: /usr
+    buildable: false
+  automake:
+    externals:
+    - spec: automake@1.15.1
+      prefix: /usr
+    buildable: false
+  m4:
+    externals:
+    - spec: m4@1.4.18
+      prefix: /usr
+    buildable: false
+  which:
+    externals:
+    - spec: which@2.21
+      prefix: /usr
+    buildable: false
+  file:
+    externals:
+    - spec: file@5.32
+      prefix: /usr
+    buildable: false
+  perl:
+    externals:
+    - spec: perl@5.26.1~cpanm+opcode+open+shared+threads
+      prefix: /usr
+    buildable: false
+  ruby:
+    externals:
+    - spec: ruby@2.5.9
+      prefix: /usr
+    buildable: false
+  autoconf:
+    externals:
+    - spec: autoconf@2.69
+      prefix: /usr
+    buildable: false
+  gawk:
+    externals:
+    - spec: gawk@4.2.1
+      prefix: /usr
+    buildable: false
+  diffutils:
+    externals:
+    - spec: diffutils@3.6
+      prefix: /usr
+    buildable: false
+  tar:
+    externals:
+    - spec: tar@1.34
+      prefix: /usr
+    buildable: false
+  openssh:
+    externals:
+    - spec: openssh@8.4p1
+      prefix: /usr
+    buildable: false
+  sqlite:
+    require: '%gcc@7.5'
+#    externals:
+#    - spec: sqlite@3.39.3+fts~functions+rtree  # does not provide include files
+#      prefix: /usr
+#    buildable: false
+  findutils:
+    externals:
+    - spec: findutils@4.8.0
+      prefix: /usr
+    buildable: false
+  libtool:
+    externals:
+    - spec: libtool@2.4.6
+      prefix: /usr
+    buildable: false
+  libfuse:
+    externals:
+    - spec: libfuse@2.9.7
+      prefix: /usr
+    - spec: libfuse@3.10.5
+      prefix: /usr
+    buildable: false

environments/hlrs/spack.yaml

@@ -1,10 +1,44 @@
-# This is a Spack Environment file.
-#
-# It describes a set of packages to be installed, along with
-# configuration settings.
+# This is a Spack Environment file fot he main HLRS software stack
 spack:
+  definitions:
+    - core_compiler: [gcc@7.5]
+    - compilers: [gcc@13.2, cce@18.0]
+    - mpis: [cray-mpich@8.1.30]
+    - cflags_noerror_implicit: ['cflags="-Wno-error=implicit-function-declaration -Wno-error=implicit-int -Wno-error=int-conversion -Wno-error=incompatible-pointer-types"']
+  packages:
+    all:
+      prefer: ['%gcc@7.5']
   # add package specs to the `specs` list
-  specs: []
+  specs:
+    - matrix:    # modules for low-level tools
+      - [libunwind, papi]
+      - [$%core_compiler]
+    - matrix:
+      - [otf-cpt]
+      - [$^mpis]
+      - [$%compilers]
+      exclude:
+        - otf-cpt%gcc  # gcc's OpenMP runtime does not support OMPT
+    - matrix:
+      - [mpip, extrae]
+      - [$cflags_noerror_implicit]    # code is not fully C99
+      - [$^mpis]
+      - [$%compilers]
+    - matrix:
+      - [scorep]
+      - [~cuda~hip, ~cuda+hip]
+      - [$^mpis]
+      - [$%compilers]
+      exclude:      # hip support requires llvm-like compiler
+        - scorep%gcc +hip
+        - scorep%cce ~hip 
+    - matrix:
+      - [scalasca]
+      - [$^mpis]
+      - [$%compilers]
+    - matrix:     # build tools
+      - [meson, ninja, cmake@3.23:]
+      - [$%core_compiler]
   view: false
   concretizer:
     unify: when_possible

environments/numlibs/spack.yaml

@@ -0,0 +1,63 @@
+# This is a Spack Environment file fot he main HLRS software stack
+spack:
+  definitions:
+    - core_compiler: [gcc@7.5]
+    - compilers: [gcc@13.2, cce@18.0]
+    - mpis: [cray-mpich@8.1.30]
+    - cflags_noerror_implicit: ['cflags="-Wno-error=implicit-function-declaration -Wno-error=implicit-int -Wno-error=int-conversion -Wno-error=incompatible-pointer-types"']
+    - num_integer_types: [~int64]
+    - num_lib_types: [+shared]
+    - rocm_variant: [+rocm amdgpu_target=gfx942]
+  include_concrete:
+    - $spack/../environments/hlrs
+  packages:
+    all:
+      prefer: ['%gcc@13.2'] # , '+rocm amdgpu_target=gfx942']
+  # add package specs to the `specs` list
+  specs:
+    - matrix:
+      - [gsl +external-cblas]
+      - [$num_lib_types]
+      - [$%compilers]
+    - matrix:
+      - [metis]
+      - [$num_integer_types]
+      - [$num_lib_types]
+      - [$%compilers]
+    - matrix:
+      - [parmetis, mumps +parmetis]
+      - [$num_integer_types]
+      - [$num_lib_types]
+      - [$^mpis]
+      - [$%compilers]
+#    - matrix:
+#      - [kahip +metis]
+#      - [$%compilers]  
+    - matrix:
+      - [parmgridgen]
+      - [$cflags_noerror_implicit]
+      - [$%compilers]
+    - matrix:
+      - [superlu-dist, sundials, hypre]
+      - [$rocm_variant]
+      - [$num_integer_types]
+      - [$num_lib_types]
+      - [$^mpis]
+      - [$%compilers]
+    - matrix:
+      - [trilinos@16:]
+      - [+kokkos]
+      - [$rocm_variant]
+      - [$num_lib_types]
+      - [$^mpis]
+      - [$%compilers]
+    - matrix:
+      - [petsc]
+      - [$rocm_variant]
+      - [$num_integer_types]
+      - [$num_lib_types]
+      - [$^mpis]
+      - [$%compilers]      
+  view: false
+  concretizer:
+    unify: when_possible

repos/hlrs/packages/extrae/package.py

@@ -42,6 +42,7 @@ class Extrae(AutotoolsPackage):
 
     license("LGPL-2.1-or-later")
 
+    version("4.2.0", sha256="7b83a1ed008440bbc1bda88297d2d0e9256780db1cf8401b3c12718451f8919a")
     version("4.1.2", sha256="adbc1d3aefde7649262426d471237dc96f070b93be850a6f15280ed86fd0b952")
     version("4.0.6", sha256="b5060336cac57f1345faa09009b1940edf1e6991aae05cc10d0b714d31360a92")
     version("4.0.5", sha256="8f5eefa95f2e94a3b5f9b7f7cbaaed523862f190575ee797113b1e97deff1586")
@@ -59,10 +60,7 @@ class Extrae(AutotoolsPackage):
     depends_on("mpi")
     depends_on("libunwind")
 
-    # TODO: replace this with an explicit list of components of Boost,
-    # for instance depends_on('boost +filesystem')
-    # See https://github.com/spack/spack/pull/22303 for reference
-    depends_on(Boost.with_default_variants)
+
     depends_on("libdwarf")
     depends_on("papi")
     depends_on("elf", type="link")
@@ -78,6 +76,10 @@ class Extrae(AutotoolsPackage):
 
     variant("dyninst", default=False, description="Use dyninst for dynamic code installation")
     depends_on("dyninst@:9", when="+dyninst")
+    # TODO: replace this with an explicit list of components of Boost,
+    # for instance depends_on('boost +filesystem')
+    # See https://github.com/spack/spack/pull/22303 for reference
+    depends_on(Boost.with_default_variants, when="+dyninst")
 
     variant("papi", default=True, description="Use PAPI to collect performance counters")
     depends_on("papi", when="+papi")
@@ -99,7 +101,6 @@ class Extrae(AutotoolsPackage):
         args = [
             "--with-mpi=%s" % mpiroot,
             "--with-unwind=%s" % spec["libunwind"].prefix,
-            "--with-boost=%s" % spec["boost"].prefix,
             "--with-dwarf=%s" % spec["libdwarf"].prefix,
             "--with-elf=%s" % spec["elf"].prefix,
             "--with-xml-prefix=%s" % spec["libxml2"].prefix,
@@ -113,9 +114,10 @@ class Extrae(AutotoolsPackage):
         )
 
         args += (
-            ["--with-dyninst=%s" % spec["dyninst"].prefix]
+            ["--with-dyninst=%s" % spec["dyninst"].prefix,
+             "--with-boost=%s" % spec["boost"].prefix]
             if "+dyninst" in self.spec
-            else ["--without-dyninst"]
+            else ["--without-dyninst", "--without-boost"]
         )
 
         args += (