FIX: remove old compilers

2025-11-26 11:05:12 +01:00
parent b227d9deba
commit 981e93dae4
4 changed files with 86 additions and 105 deletions
--- a/env/sles15/aarch64/sysconfigs/packages.yaml
+++ b/env/sles15/aarch64/sysconfigs/packages.yaml
@@ -61,13 +61,6 @@ packages:
          - 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: '@12.6.0'
--- a/env/sles15/x86_64/admin/unstable/spack.yaml
+++ b/env/sles15/x86_64/admin/unstable/spack.yaml
@@ -25,51 +25,55 @@ spack:
            set:
              SLURM_MPI_TYPE: pmix
  specs:
-    - arpack-ng@3.9.1/aapiazg
-    - boost@1.82.0/cawp3cu
-    - castep@25.12/chorual
-    - cp2k@2024.1/2jesise     #~cuda
-    - cp2k@2024.1/zqm5fme     #+cuda
-    - cp2k@2025.2/yb6gcql     #~cuda
-    - cp2k@2025.2/hkub3ev     #+cuda +sirius A100
-    - dmtcp@3.0.0/e76t6c5
-    - fastqc@0.12.1/eyuqqvf
-    - ffbidx@main/lfacuhw
-    - fpart@1.6.0/di4akxx
-    - gams@49.1/vztjqs4
-    - geant4@11.2.1/nkib2pg
-    - geant4@11.3.2/aumxzp6
-    - ghostscript@10.04.0/27dgytn
-    - ghostscript@10.04.0/sqkkzjs
-    - gromacs@2024.1/3n7qspb     #+cuda
-    - gromacs@2025.2/vbj4i76
-    - gromacs@2025.2/whcqszb
-    - hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3
-    - hdf5@1.14.3/yrxkczx
-    - libgd@2.3.3/jdywifq
-    - lammps@20250722/37gso73 #~cuda
-    - lammps@20250722/xcaf2uy #+cuda
-    - nvhpc@25.3/wcwfa56
-    - opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
-    - opal-x@master/cbgsfxb  #+cuda cuda_arch=80
-    - opal@2024.1.0/mhg3mdx
-    - osu-micro-benchmarks@7.5/exsxjam
-    - osu-micro-benchmarks@7.5/miy6mrp
-    - osu-micro-benchmarks@7.5/tlphstf
-    - py-alphafold@2.3.2/xkw7tfm     #+cuda
-    - py-pymol@3.1.0/5qcfphh
-    - q-e-sirius@1.0.1/dtn4jr4 #~cuda
-    - q-e-sirius@1.0.1/7snvzfr #+cuda
-    - quantum-espresso@7.3.1/n6mulig     #~cuda
-    - quantum-espresso@7.4.0/m7bevi7
-    - quantum-espresso@7.4.1/nxswsd7 #+cuda +mpi +mpigpu
-    - quantum-espresso@7.4.1/qasxcxt
-    - relion@4.0.1/ve5sish
-    - root@6.34.06/2wo4ykf
-    - sratoolkit@3.1.1/7oqp6a3
-    - star@2.7.11a/gdgr2ea
-    - sundials@7.0.0/xxysszi #+cuda+mpi+openmp cuda_arch=80
-    - valgrind@3.24.0/eicvdsq
-    - valgrind@3.24.0/eicvdsq
-    - visit@3.4.1/h3a6tat
+  - arpack-ng@3.9.1/aapiazg
+  - boost@1.82.0/cawp3cu
+  - castep@25.12/chorual
+  - cp2k@2024.1/2jesise       #~cuda
+  - cp2k@2024.1/zqm5fme       #+cuda
+  - cp2k@2025.2/yb6gcql       #~cuda
+  - cp2k@2025.2/hkub3ev       #+cuda +sirius A100
+  - dmtcp@3.0.0/e76t6c5
+  - fastqc@0.12.1/eyuqqvf
+  - ffbidx@main/lfacuhw
+  - fpart@1.6.0/di4akxx
+  - gams@49.1/vztjqs4
+  - geant4@11.2.1/nkib2pg
+  - geant4@11.3.2/aumxzp6
+  - ghostscript@10.04.0/27dgytn
+  - ghostscript@10.04.0/sqkkzjs
+  - gromacs@2024.1/3n7qspb       #+cuda
+  - gromacs@2025.2/vbj4i76
+  - gromacs@2025.2/whcqszb
+  - gromacs@2025.3/6ken64l
+  - gromacs@2025.3/ohljtmq   #+cuda
+  - hdf5@1.14.3/wqcdnm7   #+mpi ^openmpi@5.0.3%gcc@12.3
+  - hdf5@1.14.3/yrxkczx
+  - intel-oneapi-compilers-classic@2021.6.0   # for rizzi_n, don't remove
+  - libgd@2.3.3/jdywifq
+  - lammps@20250722/37gso73   #~cuda
+  - lammps@20250722/xcaf2uy   #+cuda
+  - nvhpc@25.3/wcwfa56
+  - opal-x@fixSolverUnits/q4ulqv3   #+cuda cuda_arch=80
+  - opal-x@master/cbgsfxb    #+cuda cuda_arch=80
+  - opal@2024.1.0/mhg3mdx
+  - osu-micro-benchmarks@7.5/exsxjam
+  - osu-micro-benchmarks@7.5/miy6mrp
+  - osu-micro-benchmarks@7.5/tlphstf
+  - py-alphafold@2.3.2/xkw7tfm       #+cuda
+  - py-pymol@3.1.0/5qcfphh
+  - q-e-sirius@1.0.1/dtn4jr4   #~cuda
+  - q-e-sirius@1.0.1/7snvzfr   #+cuda
+  - quantum-espresso@7.3.1/n6mulig       #~cuda
+  - quantum-espresso@7.4.0/m7bevi7
+  - quantum-espresso@7.4.1/nxswsd7   #+cuda +mpi +mpigpu
+  - quantum-espresso@7.4.1/qasxcxt
+  - relion@4.0.1/ve5sish
+  - root@6.34.06/2wo4ykf
+  - scorep@9.3/me7y4yx   #+cuda +openmp +shmem +papi
+  - sratoolkit@3.1.1/7oqp6a3
+  - star@2.7.11a/gdgr2ea
+  - sundials@7.0.0/xxysszi   #+cuda+mpi+openmp cuda_arch=80
+  - valgrind@3.24.0/eicvdsq
+  - valgrind@3.24.0/eicvdsq
+  - visit@3.4.1/h3a6tat
  view: false
--- a/env/sles15/x86_64/sysconfigs/packages.yaml
+++ b/env/sles15/x86_64/sysconfigs/packages.yaml
@@ -25,26 +25,26 @@ packages:
    require: '%gcc'
  ca-certificates-mozilla:
    require: '%gcc@7.5.0'
-#  cce:
-#    externals:
-#      - modules:
-#        - libfabric/1.22.0
-#        - PrgEnv-cray/8.5.0
-#        - cce/17.0.0
-#        spec: cce@=17.0.0
-#        extra_attributes:
-#          compilers:
-#            c: cc
-#            cxx: CC
-#            fortran: ftn
-#          operating_system: sles15
-#          target: x86_64
+  cce:
+    externals:
+      - modules:
+        - libfabric/1.22.0
+        - PrgEnv-cray/8.5.0
+        - cce/17.0.0
+        spec: cce@=17.0.0
+        extra_attributes:
+          compilers:
+            c: cc
+            cxx: CC
+            fortran: ftn
+          operating_system: sles15
+          target: x86_64
  cairo:
    require: '%gcc@7.5.0'
  cassini-headers:
    require: '@12.0.1'
  cmake:
-    require: '^gcc'
+    require: '%gcc'
  coreutils:
    require: '%gcc@7.5.0'
  cray-mpich:
@@ -59,18 +59,11 @@ packages:
          - cray-mpich
          - libfabric/1.22.0
        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
+        spec: cray-mpich@8.1.28%gcc@12.3
  cuda:
    prefer:
    - spec: '@12.6.0'
-    require: '@12.2.0:'
+    #require: '@12.2.0:'
  curl:
    require: '%gcc@7.5.0'
  cxi-driver:
@@ -103,20 +96,6 @@ packages:
          c: /usr/bin/gcc-12
          cxx: /usr/bin/g++-12
          fortran: /usr/bin/gfortran-12
-    - spec: gcc@=13.2.0 languages='c,c++,fortran'
-      prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7
-      extra_attributes:
-        compilers:
-          c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gcc
-          cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/g++
-          fortran: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
-    - spec: gcc@=9.5.0 languages='c,c++,fortran'
-      prefix: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp
-      extra_attributes:
-        compilers:
-          c: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gcc
-          cxx: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/g++
-          fortran: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gfortran
    - spec: gcc@=14.2.0 languages='c,c++,fortran'
      prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k
      extra_attributes:
@@ -154,21 +133,22 @@ packages:
    require: 'default_library=shared,static'
  intel-oneapi-compilers:
    externals:
-      - spec: intel-oneapi-compilers@2022.1.0
-        prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7
-        extra_attributes:
-          compilers:
-            c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icx
-            cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icpx
+    - spec: intel-oneapi-compilers@2022.1.0
+      prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-x86_64/intel-oneapi-compilers-2022.1.0-b2f5stwvjqhe6hknspnzt4a62iz54bzp
+      extra_attributes:
+        compilers:
+          c: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-x86_64/intel-oneapi-compilers-2022.1.0-b2f5stwvjqhe6hknspnzt4a62iz54bzp/compiler/2022.1.0/linux/bin/icx
+          cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-x86_64/intel-oneapi-compilers-2022.1.0-b2f5stwvjqhe6hknspnzt4a62iz54bzp/compiler/2022.1.0/linux/bin/icpx
+          fortran: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-x86_64/intel-oneapi-compilers-2022.1.0-b2f5stwvjqhe6hknspnzt4a62iz54bzp/compiler/2022.1.0/linux/bin/ifx
  intel-oneapi-compilers-classic:
    externals:
-      - spec: intel-oneapi-compilers-classic@2021.6.0
-        prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux
-        extra_attributes:
-          compilers:
-            c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icc
-            cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icpc
-            fortran: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/ifort
+    - spec: intel-oneapi-compilers-classic@2021.6.0
+      prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-x86_64/intel-oneapi-compilers-2022.1.0-b2f5stwvjqhe6hknspnzt4a62iz54bzp/compiler/2022.1.0/linux
+      extra_attributes:
+        compilers:
+          c: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-x86_64/intel-oneapi-compilers-2022.1.0-b2f5stwvjqhe6hknspnzt4a62iz54bzp/compiler/2022.1.0/linux/bin/intel64/icc
+          cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-x86_64/intel-oneapi-compilers-2022.1.0-b2f5stwvjqhe6hknspnzt4a62iz54bzp/compiler/2022.1.0/linux/bin/intel64/icpc
+          fortran: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-x86_64/intel-oneapi-compilers-2022.1.0-b2f5stwvjqhe6hknspnzt4a62iz54bzp/compiler/2022.1.0/linux/bin/intel64/ifort
  libbsd:
    require: '%gcc@7.5.0'
  libcxi:
--- a/packages/opal/package.py
+++ b/packages/opal/package.py
@@ -43,6 +43,10 @@ class Opal(CMakePackage):
    variant("mslang", default=True, description="Enable mslang")
    variant("ippltests", default=True, description="Enable IPPL tests")

+    depends_on("cxx", type="build")
+    depends_on("c", type="build")
+    depends_on("fortran", type="build")
+
    depends_on("blas")
    depends_on("boost+chrono+filesystem+iostreams+regex+serialization+system+timer")
    depends_on("boost+mpi", when="+mpi")