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1d59637051
spack/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml
eugeneswalker 1d59637051
e4s ci: add py-amrex (#43904)
2024-05-02 08:57:26 -06:00

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spack:
view: false
concretizer:
reuse: false
unify: false
packages:
all:
require: '%gcc target=neoverse_v1'
providers:
blas: [openblas]
mpi: [mpich]
variants: +mpi
binutils:
variants: +ld +gold +headers +libiberty ~nls
elfutils:
variants: ~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
xz:
variants: +pic
mpi:
require: mpich
mpich:
require: '~wrapperrpath ~hwloc'
tbb:
require: intel-tbb
boost:
variants: +atomic +chrono +container +date_time +exception +filesystem +graph
+iostreams +locale +log +math +mpi +multithreaded +program_options +random
+regex +serialization +shared +signals +stacktrace +system +test +thread +timer
cxxstd=17 visibility=global
libffi:
require: "@3.4.4"
vtk-m:
require: "+examples"
cuda:
version: [11.8.0]
specs:
# CPU
- adios
- alquimia
- aml
- amrex
- arborx
- argobots
- ascent # ecp dav
- axom
- bolt
- boost
- butterflypack
- cabana
- caliper
- chai
- charliecloud
- conduit
- cp2k +mpi
- datatransferkit
- dyninst
- ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc ~visit +vtkm +zfp # +visit: ?
- exaworks
- flecsi
- flit
- flux-core
- fortrilinos
- gasnet
- ginkgo
- globalarrays
- gmp
- gotcha
- gptune ~mpispawn
- gromacs +cp2k ^cp2k +mpi +dlaf build_system=cmake
- h5bench
- hdf5-vol-async
- hdf5-vol-cache
- hdf5-vol-log
- heffte +fftw
- hpctoolkit
- hpx networking=mpi
- hypre
- kokkos +openmp
- kokkos-kernels +openmp
- laghos
- lammps
- lbann
- legion
- libnrm
- libquo
- libunwind
- loki
- mercury
- metall
- mfem
- mgard +serial +openmp +timing +unstructured ~cuda
- mpark-variant
- mpifileutils ~xattr
- nccmp
- nco
- netlib-scalapack
- nrm
- nvhpc
- 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
- py-warpx
- 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
- wannier90
- xyce +mpi +shared +pymi +pymi_static_tpls
# INCLUDED IN ECP DAV CPU
- adios2
- 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
- zfp
# --
# - bricks ~cuda # not respecting target=aarch64?
# - dealii # slepc: make[1]: *** internal error: invalid --jobserver-auth string 'fifo:/tmp/GMfifo1313'.
# - geopm # geopm: https://github.com/spack/spack/issues/38795
# - glvis # glvis: https://github.com/spack/spack/issues/42839
# - libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp # py-numcodecs@0.7.3: gcc: error: unrecognized command-line option '-mno-sse2'
# - variorum # variorum: https://github.com/spack/spack/issues/38786
# 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
# CUDA NOARCH
- flux-core +cuda
- hpctoolkit +cuda
- papi +cuda
- tau +mpi +cuda +syscall
# --
# - bricks +cuda # not respecting target=aarch64?
# - legion +cuda # legion: needs NVIDIA driver
# CUDA 75
- amrex +cuda cuda_arch=75
- arborx +cuda cuda_arch=75 ^kokkos +wrapper
- cabana +cuda cuda_arch=75 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=75
- caliper +cuda cuda_arch=75
- chai +cuda cuda_arch=75 ^umpire ~shared
# - cp2k +mpi +cuda cuda_arch=75 # cp2k: cp2k only supports cuda_arch ('35', '37', '60', '70', '80')
- flecsi +cuda cuda_arch=75
- ginkgo +cuda cuda_arch=75
- gromacs +cuda cuda_arch=75
- heffte +cuda cuda_arch=75
- hpx +cuda cuda_arch=75
- hypre +cuda cuda_arch=75
- kokkos +wrapper +cuda cuda_arch=75
- kokkos-kernels +cuda cuda_arch=75 ^kokkos +wrapper +cuda cuda_arch=75
- magma +cuda cuda_arch=75
- mfem +cuda cuda_arch=75
- mgard +serial +openmp +timing +unstructured +cuda cuda_arch=75
- omega-h +cuda cuda_arch=75
- parsec +cuda cuda_arch=75
- petsc +cuda cuda_arch=75
- raja +cuda cuda_arch=75
- slate +cuda cuda_arch=75
- strumpack ~slate +cuda cuda_arch=75
- sundials +cuda cuda_arch=75
- superlu-dist +cuda cuda_arch=75
- tasmanian +cuda cuda_arch=75
- trilinos +cuda cuda_arch=75
- umpire ~shared +cuda cuda_arch=75
# INCLUDED IN ECP DAV CUDA
- adios2 +cuda cuda_arch=75
- vtk-m +cuda cuda_arch=75
- zfp +cuda cuda_arch=75
# --
# - ascent +cuda cuda_arch=75 # ascent: https://github.com/spack/spack/issues/38045
# - axom +cuda cuda_arch=75 # axom: https://github.com/spack/spack/issues/29520
# - cusz +cuda cuda_arch=75 # cusz: https://github.com/spack/spack/issues/38787
# - dealii +cuda cuda_arch=75 # slepc: make[1]: *** internal error: invalid --jobserver-auth string 'fifo:/tmp/GMfifo1313'.
# - paraview +cuda cuda_arch=75 # Error building some cuda componets in paraview
# - ecp-data-vis-sdk +adios2 +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=75 # embree: https://github.com/spack/spack/issues/39534
# - lammps +cuda cuda_arch=75 # lammps: needs NVIDIA driver
# - lbann +cuda cuda_arch=75 # lbann: https://github.com/spack/spack/issues/38788
# - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf ~cusz +mgard +cuda cuda_arch=75 # libpressio: CMake Error at CMakeLists.txt:498 (find_library): Could not find CUFile_LIBRARY using the following names: cufile ; +cusz: https://github.com/spack/spack/issues/38787
# - py-torch +cuda cuda_arch=75 # skipped, installed by other means
# - slepc +cuda cuda_arch=75 # slepc: make[1]: *** internal error: invalid --jobserver-auth string 'fifo:/tmp/GMfifo1313'.
# - upcxx +cuda cuda_arch=75 # upcxx: needs NVIDIA driver
# CUDA 80
- amrex +cuda cuda_arch=80
- arborx +cuda cuda_arch=80 ^kokkos +wrapper
- 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
# - cp2k +mpi +cuda cuda_arch=80 # cp2k: Error: KeyError: 'Point environment variable LIBSMM_PATH to the absolute path of the libsmm.a file'
- 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
- magma +cuda cuda_arch=80
- mfem +cuda cuda_arch=80
- mgard +serial +openmp +timing +unstructured +cuda cuda_arch=80
- omega-h +cuda cuda_arch=80
- parsec +cuda cuda_arch=80
- petsc +cuda cuda_arch=80
- raja +cuda cuda_arch=80
- slate +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
- vtk-m +cuda cuda_arch=80
- zfp +cuda cuda_arch=80
# --
# - ascent +cuda cuda_arch=80 # ascent: https://github.com/spack/spack/issues/38045
# - axom +cuda cuda_arch=80 # axom: https://github.com/spack/spack/issues/29520
# - cusz +cuda cuda_arch=80 # cusz: https://github.com/spack/spack/issues/38787
# - dealii +cuda cuda_arch=80 # slepc: make[1]: *** internal error: invalid --jobserver-auth string 'fifo:/tmp/GMfifo1313'.
# - paraview +cuda cuda_arch=80 # Error building some cuda componets in paraview
# - ecp-data-vis-sdk +adios2 +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=80 # embree: https://github.com/spack/spack/issues/39534
# - lammps +cuda cuda_arch=80 # lammps: needs NVIDIA driver
# - lbann +cuda cuda_arch=80 # lbann: https://github.com/spack/spack/issues/38788
# - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf ~cusz +mgard +cuda cuda_arch=80 # libpressio: CMake Error at CMakeLists.txt:498 (find_library): Could not find CUFile_LIBRARY using the following names: cufile ; +cusz: https://github.com/spack/spack/issues/38787
# - py-torch +cuda cuda_arch=80 # skipped, installed by other means
# - slepc +cuda cuda_arch=80 # slepc: make[1]: *** internal error: invalid --jobserver-auth string 'fifo:/tmp/GMfifo1313'.
# - upcxx +cuda cuda_arch=80 # upcxx: needs NVIDIA driver
# CUDA 90
- amrex +cuda cuda_arch=90
- arborx +cuda cuda_arch=90 ^kokkos +wrapper
- 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
# - cp2k +mpi +cuda cuda_arch=90 # cp2k: cp2k only supports cuda_arch ('35', '37', '60', '70', '80')
- 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
- 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
- strumpack ~slate +cuda cuda_arch=90
- sundials +cuda cuda_arch=90
- superlu-dist +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
# - paraview +cuda cuda_arch=90 # paraview: InstallError: Incompatible cuda_arch=90
- vtk-m +cuda cuda_arch=90
- zfp +cuda cuda_arch=90
# --
# - ascent +cuda cuda_arch=90 # ascent: https://github.com/spack/spack/issues/38045
# - axom +cuda cuda_arch=90 # axom: https://github.com/spack/spack/issues/29520
# - cusz +cuda cuda_arch=90 # cusz: https://github.com/spack/spack/issues/38787
# - dealii +cuda cuda_arch=90 # dealii: https://github.com/spack/spack/issues/39532
# - ecp-data-vis-sdk +adios2 +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=90 # embree: https://github.com/spack/spack/issues/39534
# - hypre +cuda cuda_arch=90 # concretizer: hypre +cuda requires cuda@:11, but cuda_arch=90 requires cuda@12:
# - lammps +cuda cuda_arch=90 # lammps: needs NVIDIA driver
# - lbann +cuda cuda_arch=90 # concretizer: Cannot select a single "version" for package "lbann"
# - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf ~cusz +mgard +cuda cuda_arch=90 # libpressio: CMake Error at CMakeLists.txt:498 (find_library): Could not find CUFile_LIBRARY using the following names: cufile ; +cusz: https://github.com/spack/spack/issues/38787
# - omega-h +cuda cuda_arch=90 # omega-h: https://github.com/spack/spack/issues/39535
# - py-torch +cuda cuda_arch=90 # skipped, installed by other means
# - slepc +cuda cuda_arch=90 # slepc: make[1]: *** internal error: invalid --jobserver-auth string 'fifo:/tmp/GMfifo1313'.
# - tasmanian +cuda cuda_arch=90 # tasmanian: conflicts with cuda@12
# - upcxx +cuda cuda_arch=90 # upcxx: needs NVIDIA driver
ci:
pipeline-gen:
- build-job:
image: ecpe4s/ubuntu22.04-runner-arm64-gcc-11.4:2024.03.01
cdash:
build-group: E4S ARM Neoverse V1
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