spack:
  view: false

  concretizer:
    reuse: false
    unify: false

  packages:
    all:
      require: '%gcc target=x86_64_v3'
      providers:
        blas: [openblas]
        mpi: [mpich]
      variants: +mpi
    binutils:
      variants: +ld +gold +headers +libiberty ~nls
    hdf5:
      variants: +fortran +hl +shared
    libfabric:
      variants: fabrics=sockets,tcp,udp,rxm
    libunwind:
      variants: +pic +xz
    openblas:
      variants: threads=openmp
    trilinos:
      variants: +amesos +amesos2 +anasazi +aztec +belos +boost +epetra +epetraext
        +ifpack +ifpack2 +intrepid +intrepid2 +isorropia +kokkos +ml +minitensor +muelu
        +nox +piro +phalanx +rol +rythmos +sacado +stk +shards +shylu +stokhos +stratimikos
        +teko +tempus +tpetra +trilinoscouplings +zoltan +zoltan2 +superlu-dist gotype=long_long
    mpi:
      require: mpich
    mpich:
      require: '~wrapperrpath ~hwloc target=x86_64_v3'
    tbb:
      require: intel-tbb
    vtk-m:
      require: "+examples target=x86_64_v3"
    visit:
      require: "~gui target=x86_64_v3"
    paraview:
      # Don't build GUI support or GLX rendering for HPC/container deployments
      require: "@5.11 +examples ~qt ^[virtuals=gl] osmesa target=x86_64_v3"

  specs:
  # CPU
  - adios
  - alquimia
  - aml
  - amrex
  - arborx
  - argobots
  - axom
  - bolt
  - boost
  - bricks ~cuda
  - butterflypack
  - cabana
  - caliper
  - chai
  - chapel ~rocm ~cuda
  - charliecloud
  - conduit
  - cp2k +mpi
  - datatransferkit
  - dealii ~vtk # https://github.com/spack/spack/pull/45554#issuecomment-2457255720
  - drishti
  - dxt-explorer
  - dyninst
  - e4s-cl
  - ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc +visit +vtkm +zfp # adios2~cuda, ascent~cuda, darshan-runtime, darshan-util, faodel, hdf5, libcatalyst, parallel-netcdf, paraview~cuda, py-cinemasci, sz, unifyfs, veloc, visit, vtk-m, zfp
  - exaworks
  - fftx
  - flecsi
  - flit
  - flux-core
  - fortrilinos
  - fpm
  - gasnet
  - geopm-runtime
  - ginkgo
  - globalarrays
  - gmp
  - gotcha
  - gptune ~mpispawn
  - gromacs +cp2k ^cp2k +dlaf build_system=cmake
  - h5bench
  - hdf5-vol-async
  - hdf5-vol-cache
  - hdf5-vol-log
  - heffte +fftw
  - hpctoolkit
  - hpx networking=mpi
  - hypre
  - julia ^llvm ~clang ~gold ~polly targets=amdgpu,bpf,nvptx,webassembly
  - kokkos +openmp
  - kokkos-kernels +openmp
  - laghos
  - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff
  - lbann
  - legion
  - libnrm
  - libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp
  - libquo
  - libunwind
  - loki
  - mercury
  - metall
  - mfem
  - mgard +serial +openmp +timing +unstructured ~cuda
  - mpark-variant
  - mpifileutils ~xattr
  - nccmp
  - nco
  - nekbone +mpi
  - netcdf-fortran
  - netlib-scalapack
  - nrm
  - nvhpc
  - nwchem
  - omega-h
  - openfoam
  - openmpi
  - openpmd-api
  - papi
  - papyrus
  - parsec ~cuda
  - pdt
  - petsc
  - phist
  - plasma
  - plumed
  - precice
  - pruners-ninja
  - pumi
  - py-amrex
  - py-h5py
  - py-jupyterhub
  - py-libensemble
  - py-petsc4py
  - qthreads scheduler=distrib
  - quantum-espresso
  - raja
  - rempi
  - scr
  - slate ~cuda
  - slepc
  - stc
  - strumpack ~slate
  - sundials
  - superlu
  - superlu-dist
  - swig@4.0.2-fortran
  - sz3
  - tasmanian
  - tau +mpi +python +syscall
  - trilinos +amesos +amesos2 +anasazi +aztec +belos +boost +epetra +epetraext +ifpack +ifpack2 +intrepid +intrepid2 +isorropia +kokkos +ml +minitensor +muelu +nox +piro +phalanx +rol +rythmos +sacado +stk +shards +shylu +stokhos +stratimikos +teko +tempus +tpetra +trilinoscouplings +zoltan +zoltan2 +superlu-dist gotype=long_long
  - turbine
  - umap
  - umpire
  - upcxx
  - variorum
  - wannier90
  - wps
  - wrf
  - xyce +mpi +shared +pymi +pymi_static_tpls
  # INCLUDED IN ECP DAV CPU
  - adios2
  - ascent
  - darshan-runtime
  - darshan-util
  - faodel
  - hdf5
  - libcatalyst
  - parallel-netcdf
  - paraview
  - py-cinemasci
  - sz
  - unifyfs
  - veloc
  - visit                           # silo: https://github.com/spack/spack/issues/39538
  - vtk-m
  - warpx +python
  - zfp
  # --
  - glvis                           # glvis: https://github.com/spack/spack/issues/42839
  # - nek5000 +mpi +visit             # nek5000:  Error: AttributeError: 'str' object has no attribute 'propagate': 'VISIT_INSTALL="' + spec["visit"].prefix.bin + '"',

  # PYTHON PACKAGES
  - opencv +python3
  - py-horovod
  - py-jax
  - py-jupyterlab
  - py-matplotlib
  - py-mpi4py
  - py-notebook
  - py-numba
  - py-numpy
  - py-openai
  - py-pandas
  - py-plotly
  - py-pooch
  - py-pytest
  - py-scikit-learn
  - py-scipy
  - py-seaborn
  - py-tensorflow
  - py-torch
  - py-deephyper

  # CUDA NOARCH
  - bricks +cuda
  - flux-core +cuda
  - hpctoolkit +cuda
  - papi +cuda
  - tau +mpi +cuda +syscall
  # --
  # - legion +cuda                    # legion: needs NVIDIA driver

  # CUDA 80
  - amrex +cuda cuda_arch=80
  - arborx +cuda cuda_arch=80 ^kokkos +wrapper
  - axom +cuda cuda_arch=80
  - cabana +cuda cuda_arch=80 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=80
  - caliper +cuda cuda_arch=80
  - chai +cuda cuda_arch=80 ^umpire ~shared
  - chapel +cuda cuda_arch=80
  - cusz +cuda cuda_arch=80
  - ecp-data-vis-sdk ~rocm +adios2 ~ascent +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=80 # +ascent fails because fides fetch error
  - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=80 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=80 #^raja@0.14.0
  - fftx +cuda cuda_arch=80
  - flecsi +cuda cuda_arch=80
  - ginkgo +cuda cuda_arch=80
  - gromacs +cuda cuda_arch=80
  - heffte +cuda cuda_arch=80
  - hpx +cuda cuda_arch=80
  - hypre +cuda cuda_arch=80
  - kokkos +wrapper +cuda cuda_arch=80
  - kokkos-kernels +cuda cuda_arch=80 ^kokkos +wrapper +cuda cuda_arch=80
  - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf +cusz +mgard +cuda cuda_arch=80 ^cusz +cuda cuda_arch=80
  - magma +cuda cuda_arch=80
  - mfem +cuda cuda_arch=80
  - omega-h +cuda cuda_arch=80
  - parsec +cuda cuda_arch=80
  - petsc +cuda cuda_arch=80
  - py-torch +cuda cuda_arch=80
  - raja +cuda cuda_arch=80
  - slate +cuda cuda_arch=80
  - slepc +cuda cuda_arch=80
  - strumpack ~slate +cuda cuda_arch=80
  - sundials +cuda cuda_arch=80
  - superlu-dist +cuda cuda_arch=80
  - tasmanian +cuda cuda_arch=80
  - trilinos +cuda cuda_arch=80
  - umpire ~shared +cuda cuda_arch=80
  # INCLUDED IN ECP DAV CUDA
  - adios2 +cuda cuda_arch=80
  # - ascent +cuda cuda_arch=80     # ascent: https://github.com/spack/spack/issues/38045
  - paraview +cuda cuda_arch=80
  - vtk-m +cuda cuda_arch=80
  - zfp +cuda cuda_arch=80
  # --
  # - dealii +cuda cuda_arch=80     # dealii: conflicts with '+cuda ^cuda@12:'
  # - lammps +cuda cuda_arch=80     # lammps: needs NVIDIA driver
  # - lbann +cuda cuda_arch=80      # lbann: layers/transform/cereal_registration/../permute/cutensor_support.hpp:95:18: error: 'cutensorInit' was not declared in this scope; did you mean 'cutensorPlan_t'?
  # - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=80 # mgard: https://github.com/spack/spack/issues/44833
  # - upcxx +cuda cuda_arch=80      # upcxx: needs NVIDIA driver

  # CUDA 90
  - amrex +cuda cuda_arch=90
  - arborx +cuda cuda_arch=90 ^kokkos +wrapper
  - axom +cuda cuda_arch=90
  - cabana +cuda cuda_arch=90 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=90
  - caliper +cuda cuda_arch=90
  - chai +cuda cuda_arch=90 ^umpire ~shared
  - chapel +cuda cuda_arch=90
  - fftx +cuda cuda_arch=90
  - flecsi +cuda cuda_arch=90
  - ginkgo +cuda cuda_arch=90
  - gromacs +cuda cuda_arch=90
  - heffte +cuda cuda_arch=90
  - hpx +cuda cuda_arch=90
  - hypre +cuda cuda_arch=90
  - kokkos +wrapper +cuda cuda_arch=90
  - kokkos-kernels +cuda cuda_arch=90 ^kokkos +wrapper +cuda cuda_arch=90
  - magma +cuda cuda_arch=90
  - mfem +cuda cuda_arch=90
  - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=90
  - parsec +cuda cuda_arch=90
  - petsc +cuda cuda_arch=90
  - raja +cuda cuda_arch=90
  - slate +cuda cuda_arch=90
  - slepc +cuda cuda_arch=90
  - strumpack ~slate +cuda cuda_arch=90
  - sundials +cuda cuda_arch=90
  - superlu-dist +cuda cuda_arch=90
  - tasmanian +cuda cuda_arch=90
  - trilinos +cuda cuda_arch=90
  - umpire ~shared +cuda cuda_arch=90
  # INCLUDED IN ECP DAV CUDA
  - adios2 +cuda cuda_arch=90
  # - ascent +cuda cuda_arch=90       # ascent: https://github.com/spack/spack/issues/38045
  # - paraview +cuda cuda_arch=90     # paraview: InstallError: Incompatible cuda_arch=90
  - vtk-m +cuda cuda_arch=90
  - zfp +cuda cuda_arch=90
  # --
  # - cusz +cuda cuda_arch=90         # cusz: cuda-12.5.0-ndrzb7undvancjdj3fi6bhthdxdo7gr5/targets/x86_64-linux/include/cub/util_device.cuh:202:50: error: 'blockDim' was not declared in this scope
  # - dealii +cuda cuda_arch=90       # dealii: conflicts with '+cuda ^cuda@12:'; dealii: https://github.com/spack/spack/issues/39532
  # - ecp-data-vis-sdk ~rocm +adios2 +ascent +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=90 # +ascent: # ascent: https://github.com/spack/spack/issues/38045; +paraview: VTK/ThirdParty/vtkm/vtkvtkm/vtk-m/vtkm/exec/cuda/internal/ExecutionPolicy.h(121): error: namespace "thrust" has no member "sort"
  # - lammps +cuda cuda_arch=90       # lammps: needs NVIDIA driver
  # - lbann +cuda cuda_arch=90        # aluminum: /usr/include/c++/11/bits/basic_string.h:1260: multiple definition of `cub::CUB_200400___CUDA_ARCH_LIST___NS::Debug(cudaError, char const*, int)'; 
  # - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf +cusz +mgard +cuda cuda_arch=90 ^cusz +cuda cuda_arch=90 # cusz: cuda-12.5.0-e3rny44pq5z5x3nnoljynbsq5on5fnl3/targets/x86_64-linux/include/cub/util_device.cuh:202:50: error: 'blockDim' was not declared in this scope
  # - omega-h +cuda cuda_arch=90      # omega-h: https://github.com/spack/spack/issues/39535
  # - py-torch +cuda cuda_arch=90     # py-torch: FAILED: caffe2/CMakeFiles/torch_cuda.dir/__/aten/src/ATen/native/transformers/cuda/flash_attn/kernels/flash_bwd_hdim256_bf16_sm80.cu.o
  # - upcxx +cuda cuda_arch=90        # upcxx: needs NVIDIA driver

  # ROCM NOARCH
  - hpctoolkit +rocm
  - tau +mpi +rocm +syscall           # tau: has issue with `spack env depfile` build

  # ROCM 90a
  - amrex +rocm amdgpu_target=gfx90a
  - caliper +rocm amdgpu_target=gfx90a
  - chai +rocm amdgpu_target=gfx90a
  - ecp-data-vis-sdk +paraview +vtkm +rocm amdgpu_target=gfx90a
  - gasnet +rocm amdgpu_target=gfx90a
  - ginkgo +rocm amdgpu_target=gfx90a
  - heffte +rocm amdgpu_target=gfx90a
  - hpx +rocm amdgpu_target=gfx90a
  - hypre +rocm amdgpu_target=gfx90a
  - magma ~cuda +rocm amdgpu_target=gfx90a
  - mfem +rocm amdgpu_target=gfx90a
  - raja ~openmp +rocm amdgpu_target=gfx90a
  - slate +rocm amdgpu_target=gfx90a
  - strumpack ~slate +rocm amdgpu_target=gfx90a
  - sundials +rocm amdgpu_target=gfx90a
  - superlu-dist +rocm amdgpu_target=gfx90a
  - tasmanian ~openmp +rocm amdgpu_target=gfx90a
  - trilinos +amesos +amesos2 +anasazi +aztec +belos +boost +epetra +epetraext +ifpack ~ifpack2 +intrepid +intrepid2 +isorropia +kokkos +ml +minitensor +muelu +nox +piro +phalanx +rol +rythmos +sacado +stk +shards +shylu ~stokhos +stratimikos +teko +tempus +tpetra +trilinoscouplings +zoltan +zoltan2 +superlu-dist gotype=long_long +rocm amdgpu_target=gfx90a
  - umpire +rocm amdgpu_target=gfx90a
  - upcxx +rocm amdgpu_target=gfx90a
  # INCLUDED IN ECP DAV ROCM
  # - hdf5
  # - hdf5-vol-async
  # - hdf5-vol-cache
  # - hdf5-vol-log
  # - libcatalyst
  - paraview +rocm amdgpu_target=gfx90a
  # - vtk-m ~openmp +rocm amdgpu_target=gfx90a  # vtk-m: https://github.com/spack/spack/issues/40268
  # --
  # - adios2 +kokkos +rocm amdgpu_target=gfx90a # +kokkos: https://github.com/spack/spack/issues/44832
  # - arborx +rocm amdgpu_target=gfx90a         # kokkos: https://github.com/spack/spack/issues/44832
  # - cabana +rocm amdgpu_target=gfx90a         # kokkos: https://github.com/spack/spack/issues/44832
  # - chapel +rocm amdgpu_target=gfx90a         # chapel: need chapel >= 2.2 to support ROCm >5.4
  # - exago +mpi +python +raja +hiop +rocm amdgpu_target=gfx90a ~ipopt cxxflags="-Wno-error=non-pod-varargs" ^hiop@1.0.0 ~sparse +mpi +raja +rocm amdgpu_target=gfx90a # hiop: CMake Error at cmake/FindHiopHipLibraries.cmake:23 (find_package)
  # - fftx +rocm amdgpu_target=gfx90a           # fftx: https://github.com/spack/spack/issues/47034
  # - kokkos +rocm amdgpu_target=gfx90a         # kokkos: https://github.com/spack/spack/issues/44832
  # - lbann ~cuda +rocm amdgpu_target=gfx90a    # aluminum: https://github.com/spack/spack/issues/38807
  # - legion +rocm amdgpu_target=gfx90a         # kokkos: https://github.com/spack/spack/issues/44832
  # - papi +rocm amdgpu_target=gfx90a           # papi: https://github.com/spack/spack/issues/27898
  # - petsc +rocm amdgpu_target=gfx90a          # petsc: https://github.com/spack/spack/issues/44600
  # - slepc +rocm amdgpu_target=gfx90a ^petsc +rocm amdgpu_target=gfx90a # petsc: https://github.com/spack/spack/issues/44600

  # - cp2k +mpi +cuda cuda_arch=80              # cp2k: spack-stage-libxsmm-1.17-r2zqxa24bhufaj5i3ili5se25cw7tioo/spack-src/./src/libxsmm_gemm.c:238: undefined reference to `sgemv_'
  # - cp2k +mpi +cuda cuda_arch=90              # cp2k: cp2k only supports cuda_arch ('35', '37', '60', '70', '80')
  # - cp2k +mpi +rocm amdgpu_target=gfx908      # cp2k: "-L{}".format(spec["rocm"].libs.directories[0]),
  # - cp2k +mpi +rocm amdgpu_target=gfx90a      # cp2k: "-L{}".format(spec["rocm"].libs.directories[0]),

  ci:
    pipeline-gen:
    - build-job:
        image: ghcr.io/spack/spack/ubuntu22.04-runner-amd64-gcc-11.4:2024.03.01

  cdash:
    build-group: E4S