e4s cray rhel stack: expand to full spec list (#40111)

* e4s cray rhel stack: expand to full spec list

* comment out gasnet; require %gcc for unzip

* require openblas@0.3.20 to get around %cce error; follow up with issue report

* comment out failing specs;

* comment out axom and xyce due to errors

* improve clarity of failing specs

share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-rhel/spack.yaml

@@ -21,47 +21,156 @@ spack:
       target: [zen4]
       variants: +mpi
 
+    tbb:
+      require: "intel-tbb"
     binutils:
       variants: +ld +gold +headers +libiberty ~nls
-    hdf5:
+    boost:
-      variants: +fortran +hl +shared
+      variants: +python +filesystem +iostreams +system
-    libunwind:
+    cuda:
-      variants: +pic +xz
+      version: [11.7.0]
-    ncurses:
-      require: '@6.3 +termlib'
-    openblas:
-      require: '@0.3.20'
-      variants: threads=openmp
-    xz:
-      variants: +pic
     elfutils:
       variants: +bzip2 ~nls +xz
-      require: '%gcc'
+      require: "%gcc"
+    hdf5:
+      variants: +fortran +hl +shared
+    libfabric:
+      variants: fabrics=sockets,tcp,udp,rxm
+    libunwind:
+      variants: +pic +xz
+    mpich:
+      variants: ~wrapperrpath
+    ncurses:
+      variants: +termlib
+    paraview:
+      # Don't build GUI support or GLX rendering for HPC/container deployments
+      require: "@5.11 ~qt+osmesa"
+    python:
+      version: [3.8.13]
+    trilinos:
+      require:
+      - one_of: [+amesos +amesos2 +anasazi +aztec +boost +epetra +epetraext +ifpack
+            +intrepid +intrepid2 +isorropia +kokkos +minitensor +nox +piro +phalanx
+            +rol +rythmos +sacado +stk +shards +stratimikos +tempus +tpetra
+            +trilinoscouplings +zoltan]
+      - one_of: [gotype=long_long, gotype=all]
+      - one_of: [~ml ~muelu ~zoltan2 ~teko, +ml +muelu +zoltan2 +teko]
+      - one_of: [+superlu-dist, ~superlu-dist]
+      - one_of: [+shylu, ~shylu]
+    xz:
+      variants: +pic
+    mesa:
+      version: [21.3.8]
     unzip:
-      require: '%gcc'
+      require: "%gcc"
 
   specs:
-  - adios2
+  # CPU
+  - adios
+  - aml
+  - arborx
+  - argobots
+  - bolt
   - butterflypack
+  - boost +python +filesystem +iostreams +system
+  - cabana
+  - caliper
+  - chai ~benchmarks ~tests
+  - charliecloud
   - conduit
+  - datatransferkit
+  - flecsi
+  - flit
   - flux-core
+  - fortrilinos
+  - ginkgo
+  - globalarrays
+  - gmp
+  - gotcha
   - h5bench
   - hdf5-vol-async
   - hdf5-vol-cache
   - hdf5-vol-log
+  - heffte +fftw
+  - hpx max_cpu_count=512 networking=mpi
   - hypre
-  - kokkos
+  - kokkos +openmp
-  - kokkos-kernels
+  - kokkos-kernels +openmp
+  - lammps
   - legion
+  - libnrm
+  - libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed
+    +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf +mgard
+  - libquo
+  - libunwind
+  - mercury
+  - metall
   - mfem
+  - mgard +serial +openmp +timing +unstructured ~cuda
+  - mpark-variant
+  - mpifileutils ~xattr
+  - nccmp
+  - nco
+  - netlib-scalapack
+  - omega-h
+  - openmpi
+  - openpmd-api
+  - papi
+  - papyrus
+  - pdt
   - petsc
+  - plumed
+  - precice
+  - pumi
+  - py-h5py +mpi
+  - py-h5py ~mpi
+  - py-libensemble +mpi +nlopt
   - py-petsc4py
+  - qthreads scheduler=distrib
   - raja
+  - slate ~cuda
   - slepc
+  - stc
+  - sundials
+  - superlu
   - superlu-dist
-  - tau
+  - swig
+  - swig@4.0.2-fortran
+  - sz3
+  - tasmanian
+  - tau +mpi +python
+  - trilinos@13.0.1 +belos +ifpack2 +stokhos
+  - turbine
+  - umap
+  - umpire
+  - veloc
+  - wannier90
 
-  # - amrex # disabled temporarily pending resolution of unreproducible CI failure
+  # - alquimia            # pflotran: petsc-3.19.4-c6pmpdtpzarytxo434zf76jqdkhdyn37/lib/petsc/conf/rules:169: material_aux.o] Error 1: fortran errors
+  # - amrex               # disabled temporarily pending resolution of unreproducible CI failure
+  # - archer              # subsumed by llvm +omp_tsan
+  # - axom                # axom: CMake Error at axom/sidre/cmake_install.cmake:154 (file): file INSTALL cannot find "/tmp/gitlab-runner-2/spack-stage/spack-stage-axom-0.8.1-jvol6riu34vuyqvrd5ft2gyhrxdqvf63/spack-build-jvol6ri/lib/fortran/axom_spio.mod": No such file or directory.
+  # - bricks              # bricks: clang-15: error: clang frontend command failed with exit code 134 (use -v to see invocation)
+  # - dealii              # llvm@14.0.6: ?; intel-tbb@2020.3: clang-15: error: unknown argument: '-flifetime-dse=1'; assimp@5.2.5: clang-15: error: clang frontend command failed with exit code 134 (use -v to see invocation)
+  # - dyninst             # requires %gcc
+  # - ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc ~visit +vtkm +zfp ^hdf5@1.14 # llvm@14.0.6: ?;
+  # - exaworks            # rust: ld.lld: error: relocation R_X86_64_32 cannot be used against local symbol; recompile with -fPIC'; defined in /opt/cray/pe/cce/15.0.1/cce/x86_64/lib/no_mmap.o, referenced by /opt/cray/pe/cce/15.0.1/cce/x86_64/lib/no_mmap.o:(__no_mmap_for_malloc)
+  # - gasnet              # configure error: User requested --enable-ofi but I don't know how to build ofi programs for your system
+  # - gptune              # py-scipy: meson.build:82:0: ERROR: Unknown compiler(s): [['/home/gitlab-runner-3/builds/dWfnZWPh/0/spack/spack/lib/spack/env/cce/ftn']]
+  # - hpctoolkit          # dyninst requires %gcc
+  # - nrm                 # py-scipy: meson.build:82:0: ERROR: Unknown compiler(s): [['/home/gitlab-runner-3/builds/dWfnZWPh/0/spack/spack/lib/spack/env/cce/ftn']]
+  # - nvhpc               # requires %gcc
+  # - parsec ~cuda        # parsec: parsec/fortran/CMakeFiles/parsec_fortran.dir/parsecf.F90.o: ftn-2103 ftn: WARNING in command line. The -W extra option is not supported or invalid and will be ignored.
+  # - phist               # fortran_bindings/CMakeFiles/phist_fort.dir/phist_testing.F90.o: ftn-78 ftn: ERROR in command line. The -f option has an invalid argument, "no-math-errno".
+  # - plasma              # %cce conflict
+  # - py-jupyterhub       # rust: ld.lld: error: relocation R_X86_64_32 cannot be used against local symbol; recompile with -fPIC'; defined in /opt/cray/pe/cce/15.0.1/cce/x86_64/lib/no_mmap.o, referenced by /opt/cray/pe/cce/15.0.1/cce/x86_64/lib/no_mmap.o:(__no_mmap_for_malloc)
+  # - py-warpx            # py-scipy: meson.build:82:0: ERROR: Unknown compiler(s): [['/home/gitlab-runner-3/builds/dWfnZWPh/0/spack/spack/lib/spack/env/cce/ftn']]
+  # - quantum-espresso    # quantum-espresso: CMake Error at cmake/FindSCALAPACK.cmake:503 (message): A required library with SCALAPACK API not found.  Please specify library
+  # - scr                 # scr: make[2]: *** [examples/CMakeFiles/test_ckpt_F.dir/build.make:112: examples/test_ckpt_F] Error 1: /opt/cray/pe/cce/15.0.1/binutils/x86_64/x86_64-pc-linux-gnu/bin/ld: /opt/cray/pe/mpich/8.1.25/ofi/cray/10.0/lib/libmpi_cray.so: undefined reference to `PMI_Barrier'
+  # - strumpack ~slate    # strumpack: [test/CMakeFiles/test_HSS_seq.dir/build.make:117: test/test_HSS_seq] Error 1: ld.lld: error: undefined reference due to --no-allow-shlib-undefined: mpi_abort_
+  # - upcxx               # upcxx: configure error: User requested --enable-ofi but I don't know how to build ofi programs for your system
+  # - variorum            # variorum: /opt/cray/pe/cce/15.0.1/binutils/x86_64/x86_64-pc-linux-gnu/bin/ld: /opt/cray/pe/lib64/libpals.so.0: undefined reference to `json_array_append_new@@libjansson.so.4'
+  # - xyce +mpi +shared +pymi +pymi_static_tpls ^trilinos~shylu # openblas: ftn-2307 ftn: ERROR in command line: The "-m" option must be followed by 0, 1, 2, 3 or 4.; make[2]: *** [<builtin>: spotrf2.o] Error 1; make[1]: *** [Makefile:27: lapacklib] Error 2; make: *** [Makefile:250: netlib] Error 2
 
   mirrors: { "mirror": "s3://spack-binaries/develop/e4s-cray-rhel" }