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-rw-r--r--share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml197
1 files changed, 93 insertions, 104 deletions
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml
index 70fff7c477..29d5f63a16 100644
--- a/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml
+++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml
@@ -14,8 +14,6 @@ spack:
variants: +mpi
binutils:
variants: +ld +gold +headers +libiberty ~nls
- elfutils:
- variants: +bzip2 ~nls +xz
hdf5:
variants: +fortran +hl +shared
libfabric:
@@ -29,35 +27,19 @@ spack:
+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
- mesa:
- version: [21.3.8]
mpi:
require: mpich
mpich:
- require: '~wrapperrpath ~hwloc'
- ncurses:
- require: '@6.3 +termlib'
+ require: '~wrapperrpath ~hwloc target=x86_64_v3'
tbb:
require: intel-tbb
- boost:
- version: [1.79.0]
- 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"
+ require: "+examples target=x86_64_v3"
visit:
- require: "~gui"
- cuda:
- version: [11.8.0]
+ require: "~gui target=x86_64_v3"
paraview:
# Don't build GUI support or GLX rendering for HPC/container deployments
- require: "@5.11 ~qt+osmesa"
+ require: "@5.11 +examples ~qt ^[virtuals=gl] osmesa target=x86_64_v3"
specs:
# CPU
@@ -74,27 +56,33 @@ spack:
- butterflypack
- cabana
- caliper
- - chai ~benchmarks ~tests
+ - chai
+ - chapel ~rocm ~cuda
- charliecloud
- conduit
+ - cp2k +mpi
- datatransferkit
- - dealii
+ - dealii ~vtk # https://github.com/spack/spack/pull/45554#issuecomment-2457255720
- drishti
- dxt-explorer
- dyninst
- - 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
+ - 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 build_system=cmake
+ - gromacs +cp2k ^cp2k +dlaf build_system=cmake
- h5bench
- hdf5-vol-async
- hdf5-vol-cache
@@ -106,7 +94,8 @@ spack:
- julia ^llvm ~clang ~gold ~polly targets=amdgpu,bpf,nvptx,webassembly
- kokkos +openmp
- kokkos-kernels +openmp
- - lammps
+ - 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
@@ -122,9 +111,12 @@ spack:
- mpifileutils ~xattr
- nccmp
- nco
+ - nekbone +mpi
+ - netcdf-fortran
- netlib-scalapack
- nrm
- nvhpc
+ - nwchem
- omega-h
- openfoam
- openmpi
@@ -140,11 +132,11 @@ spack:
- precice
- pruners-ninja
- pumi
+ - py-amrex
- py-h5py
- py-jupyterhub
- py-libensemble
- py-petsc4py
- - py-warpx
- qthreads scheduler=distrib
- quantum-espresso
- raja
@@ -168,6 +160,8 @@ spack:
- upcxx
- variorum
- wannier90
+ - wps
+ - wrf
- xyce +mpi +shared +pymi +pymi_static_tpls
# INCLUDED IN ECP DAV CPU
- adios2
@@ -183,12 +177,35 @@ spack:
- sz
- unifyfs
- veloc
- # - visit # silo: https://github.com/spack/spack/issues/39538
+ - visit # silo: https://github.com/spack/spack/issues/39538
- vtk-m
+ - warpx +python
- zfp
# --
- # - archer # submerged into llvm +libomp_tsan
- # - geopm # geopm: https://github.com/spack/spack/issues/38795
+ - 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
@@ -202,15 +219,18 @@ spack:
# 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 ~benchmarks ~tests +cuda cuda_arch=80 ^umpire ~shared
+ - chai +cuda cuda_arch=80 ^umpire ~shared
+ - chapel +cuda cuda_arch=80
- cusz +cuda cuda_arch=80
- - dealii +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
@@ -219,7 +239,6 @@ spack:
- 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
- - 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
@@ -234,43 +253,47 @@ spack:
- 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
+ - 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
# --
- # - lammps +cuda cuda_arch=80 # lammps: needs NVIDIA driver
- # - upcxx +cuda cuda_arch=80 # upcxx: needs NVIDIA driver
- # - axom +cuda cuda_arch=80 # axom: https://github.com/spack/spack/issues/29520
- # - lbann +cuda cuda_arch=80 # lbann: https://github.com/spack/spack/issues/38788
+ # - 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 ~benchmarks ~tests +cuda cuda_arch=90 ^umpire ~shared
- - cusz +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
- - 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
- 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
- - py-torch +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
@@ -280,82 +303,34 @@ spack:
- vtk-m +cuda cuda_arch=90
- zfp +cuda cuda_arch=90
# --
- # - axom +cuda cuda_arch=90 # axom: https://github.com/spack/spack/issues/29520
- # - dealii +cuda cuda_arch=90 # dealii: https://github.com/spack/spack/issues/39532
- # - ecp-data-vis-sdk ~rocm +adios2 +ascent +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=90 # paraview: incompatible cuda_arch; vtk-m: CMake Error at CMake/VTKmWrappers.cmake:413 (message): vtkm_cont needs to be built STATIC as CUDA doesn't support virtual methods across dynamic library boundaries. You need to set the CMake opt ion BUILD_SHARED_LIBS to `OFF` or (better) turn VTKm_NO_DEPRECATED_VIRTUAL to `ON`.
- # - hypre +cuda cuda_arch=90 # concretizer: hypre +cuda requires cuda@:11, but cuda_arch=90 requires cuda@12:
+ # - 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 # concretizer: Cannot select a single "version" for package "lbann"
+ # - 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
- # - tasmanian +cuda cuda_arch=90 # tasmanian: conflicts with cuda@12
+ # - 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 908
- - adios2 +kokkos +rocm amdgpu_target=gfx908
- - amrex +rocm amdgpu_target=gfx908
- - arborx +rocm amdgpu_target=gfx908
- - cabana +rocm amdgpu_target=gfx908
- - caliper +rocm amdgpu_target=gfx908
- - chai ~benchmarks +rocm amdgpu_target=gfx908
- - ecp-data-vis-sdk +paraview +vtkm +rocm amdgpu_target=gfx908
- - gasnet +rocm amdgpu_target=gfx908
- - ginkgo +rocm amdgpu_target=gfx908
- - heffte +rocm amdgpu_target=gfx908
- - hpx +rocm amdgpu_target=gfx908
- - hypre +rocm amdgpu_target=gfx908
- - kokkos +rocm amdgpu_target=gfx908
- - legion +rocm amdgpu_target=gfx908
- - magma ~cuda +rocm amdgpu_target=gfx908
- - mfem +rocm amdgpu_target=gfx908
- - petsc +rocm amdgpu_target=gfx908
- - raja ~openmp +rocm amdgpu_target=gfx908
- - slate +rocm amdgpu_target=gfx908
- - slepc +rocm amdgpu_target=gfx908 ^petsc +rocm amdgpu_target=gfx908
- - strumpack ~slate +rocm amdgpu_target=gfx908
- - sundials +rocm amdgpu_target=gfx908
- - superlu-dist +rocm amdgpu_target=gfx908
- - tasmanian ~openmp +rocm amdgpu_target=gfx908
- - 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=gfx908
- - umpire +rocm amdgpu_target=gfx908
- - upcxx +rocm amdgpu_target=gfx908
- # INCLUDED IN ECP DAV ROCM
- # - hdf5
- # - hdf5-vol-async
- # - hdf5-vol-cache
- # - hdf5-vol-log
- # - libcatalyst
- - paraview +rocm amdgpu_target=gfx908
- # - vtk-m ~openmp +rocm amdgpu_target=gfx908 # vtk-m: https://github.com/spack/spack/issues/40268
- # --
- # - exago +mpi +python +raja +hiop +rocm amdgpu_target=gfx908 ~ipopt cxxflags="-Wno-error=non-pod-varargs" ^hiop@1.0.0 ~sparse +mpi +raja +rocm amdgpu_target=gfx908 # hiop: CMake Error at cmake/FindHiopHipLibraries.cmake:23 (find_package)
- # - lbann ~cuda +rocm amdgpu_target=gfx908 # aluminum: https://github.com/spack/spack/issues/38807
- # - papi +rocm amdgpu_target=gfx908 # papi: https://github.com/spack/spack/issues/27898
+ - tau +mpi +rocm +syscall # tau: has issue with `spack env depfile` build
# ROCM 90a
- - adios2 +kokkos +rocm amdgpu_target=gfx90a
- amrex +rocm amdgpu_target=gfx90a
- - arborx +rocm amdgpu_target=gfx90a
- - cabana +rocm amdgpu_target=gfx90a
- caliper +rocm amdgpu_target=gfx90a
- - chai ~benchmarks +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
- - kokkos +rocm amdgpu_target=gfx90a
- - legion +rocm amdgpu_target=gfx90a
- magma ~cuda +rocm amdgpu_target=gfx90a
- mfem +rocm amdgpu_target=gfx90a
- - petsc +rocm amdgpu_target=gfx90a
- raja ~openmp +rocm amdgpu_target=gfx90a
- slate +rocm amdgpu_target=gfx90a
- - slepc +rocm amdgpu_target=gfx90a ^petsc +rocm amdgpu_target=gfx90a
- strumpack ~slate +rocm amdgpu_target=gfx90a
- sundials +rocm amdgpu_target=gfx90a
- superlu-dist +rocm amdgpu_target=gfx90a
@@ -372,14 +347,28 @@ spack:
- 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/ubuntu20.04-runner-amd64-gcc-11.4:2023.08.01"
+ image: ghcr.io/spack/spack/ubuntu22.04-runner-amd64-gcc-11.4:2024.03.01
cdash:
build-group: E4S
generated by cgit v1.2.3-70-g09d2 (git 2.46.0) at 2025-08-05 08:07:21 +0000