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e4s oneapi: upgrade to latest compilers oneapi@2025.1 (#47317)

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* e4s oneapi: upgrade to latest compilers oneapi@2025.1

* update specs and package preferences

* enable some more dav packages

* enable additional specs

* e4s oneapi: packages: elfutils does not have bzip2 variant

* e4s oneapi: packages: elfutils does not have xz variant

* e4s oneapi: comment out heffte+sycl

* comment out e4s oneapi failures

* comment out more failures

* comment out failing spec
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eugeneswalker 2025-04-02 09:21:49 -07:00 committed by GitHub
parent 528ba74965
commit 973a7e6de8
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2 changed files with 68 additions and 95 deletions
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2
share/spack/gitlab/cloud_pipelines/.gitlab-ci.yml
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@ -334,7 +334,7 @@ e4s-rocm-external-build:
e4s-oneapi-generate: e4s-oneapi-generate:
extends: [ ".e4s-oneapi", ".generate-x86_64"] extends: [ ".e4s-oneapi", ".generate-x86_64"]
image: ghcr.io/spack/spack/ubuntu22.04-runner-amd64-oneapi-2024.2:2024.09.06 image: ghcr.io/spack/spack/ubuntu22.04-runner-amd64-oneapi-2025.1:2025.03.24
e4s-oneapi-build: e4s-oneapi-build:
extends: [ ".e4s-oneapi", ".build" ] extends: [ ".e4s-oneapi", ".build" ]

161
share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml
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@ -34,54 +34,28 @@ spack:
variants: +termlib variants: +termlib
openblas: openblas:
variants: threads=openmp variants: threads=openmp
require: 'cppflags="-O1" target=x86_64_v3 %oneapi'
trilinos: 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 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: xz:
variants: +pic variants: +pic
gcc-runtime:
require: 'target=x86_64_v3 %gcc'
binutils:
variants: +ld +gold +headers +libiberty ~nls
rust:
require: 'target=x86_64_v3 %gcc'
bison:
require: 'target=x86_64_v3 %gcc'
raja:
variants: +plugins
mpi: mpi:
require: intel-oneapi-mpi require: intel-oneapi-mpi
intel-oneapi-mpi:
buildable: false
externals:
- spec: intel-oneapi-mpi@2021.13.1
prefix: /opt/intel/oneapi
unzip:
require:
- 'target=x86_64_v3 %gcc'
py-maturin:
require:
- 'target=x86_64_v3 %gcc'
binutils:
require:
- 'target=x86_64_v3 %gcc'
variants: +ld +gold +headers +libiberty ~nls
llvm:
require:
- 'target=x86_64_v3 %gcc'
ruby:
require:
- 'target=x86_64_v3 %gcc'
rust:
require:
- 'target=x86_64_v3 %gcc'
krb5:
require:
- 'target=x86_64_v3 %gcc'
openssh:
require:
- 'target=x86_64_v3 %gcc'
dyninst:
require:
- 'target=x86_64_v3 %gcc'
bison:
require:
- 'target=x86_64_v3 %gcc'
paraview:
require:
- +examples target=x86_64_v3
specs: specs:
# CPU
- adios - adios
- alquimia - alquimia
- aml - aml
@ -95,15 +69,12 @@ spack:
- butterflypack - butterflypack
- cabana - cabana
- caliper - caliper
- chai - chai tests=none
- charliecloud - charliecloud
- conduit - conduit
- datatransferkit - datatransferkit
- dealii ~vtk ~taskflow cflags=-O0 cxxflags=-O0 # +vtk +taskflow: ^taskflow: CMake Error at CMakeLists.txt:81 (message): Taskflow currently supports the following compilers: g++ v7.0 or above, clang++ v6.0 or above; use -O0 to work around compiler failure - e4s-alc
- drishti - e4s-cl
- dxt-explorer
- ecp-data-vis-sdk ~cuda ~rocm +adios2 ~ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc ~visit +vtkm +zfp # +ascent: fides: fides/xgc/XGCCommon.cxx:233:10: error: no member named 'iota' in namespace 'std'; +visit: visit_vtk/lightweight/vtkSkewLookupTable.C:32:10: error: cannot initialize return object of type 'unsigned char *' with an rvalue of type 'const unsigned char *'
- exaworks
- flecsi - flecsi
- flit - flit
- flux-core - flux-core
@ -111,26 +82,24 @@ spack:
- gasnet - gasnet
- ginkgo - ginkgo
- globalarrays - globalarrays
- glvis ^llvm
- gmp - gmp
- gotcha - gotcha
- gptune ~mpispawn
- gromacs - gromacs
- h5bench - h5bench
- hdf5-vol-async - hdf5-vol-async
- hdf5-vol-cache - hdf5-vol-cache
- hdf5-vol-log - hdf5-vol-log
- heffte +fftw - heffte +fftw
- hpctoolkit
- hpx networking=mpi - hpx networking=mpi
- hypre - hypre
- kokkos +openmp - kokkos +openmp
- kokkos-kernels +openmp - kokkos-kernels +openmp
- laghos - laghos ^mfem~cuda
- lammps - 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
- legion - legion
- libceed - libceed
- libnrm - libnrm
- libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp
- libquo - libquo
- libunwind - libunwind
- loki - loki
@ -142,14 +111,16 @@ spack:
- mpifileutils ~xattr - mpifileutils ~xattr
- nccmp - nccmp
- nco - nco
- nekbone +mpi
- netcdf-fortran
- netlib-scalapack - netlib-scalapack
- nrm ^py-scipy cflags="-Wno-error=incompatible-function-pointer-types" # py-scipy@1.8.1 fails without cflags here - nrm
- nwchem - nwchem
- omega-h - omega-h
- openfoam - openfoam
- openmpi - openmpi
- openpmd-api - openpmd-api
- papi - papi target=x86_64_v3
- papyrus - papyrus
- parsec ~cuda - parsec ~cuda
- pdt - pdt
@ -159,12 +130,11 @@ spack:
- precice - precice
- pruners-ninja - pruners-ninja
- pumi - pumi
- py-amrex ~ipo # oneAPI 2024.2.0 builds do not support IPO/LTO says CMake, even though pybind11 strongly encourages it
- py-h5py - py-h5py
- py-jupyterhub
- py-libensemble - py-libensemble
- py-petsc4py - py-petsc4py
- qthreads scheduler=distrib - qthreads scheduler=distrib
- quantum-espresso
- raja - raja
- rempi - rempi
- scr - scr
@ -197,70 +167,73 @@ spack:
- hdf5 - hdf5
- libcatalyst - libcatalyst
- parallel-netcdf - parallel-netcdf
- paraview
- py-cinemasci
- sz - sz
- unifyfs - unifyfs
- veloc - veloc
# - visit # visit: +visit: visit_vtk/lightweight/vtkSkewLookupTable.C:32:10: error: cannot initialize return object of type 'unsigned char *' with an rvalue of type 'const unsigned char *' - vtk-m ~openmp # +openmp: https://github.com/spack/spack/issues/31830
- vtk-m ~openmp
- warpx +python ~python_ipo ^py-amrex ~ipo # oneAPI 2024.2.0 builds do not support IPO/LTO says CMake, even though pybind11 strongly encourages it
- zfp - zfp
# -- # --
# - chapel ~cuda ~rocm # llvm: closures.c:(.text+0x305e): undefined reference to `_intel_fast_memset' # - paraview +qt # llvm-17.0.6: https://github.com/spack/spack/issues/49625
# - cp2k +mpi # dbcsr: dbcsr_api.F(973): #error: incomplete macro call DBCSR_ABORT. # - py-cinemasci # llvm-14.0.6: https://github.com/spack/spack/issues/49625
# - fftx # fftx: https://github.com/spack/spack/issues/47048 # - visit # llvm-17.0.6: https://github.com/spack/spack/issues/49625
# - geopm-runtime # libelf: configure: error: installation or configuration problem: C compiler cannot create executables. # --
# - hpctoolkit # dyninst@13.0.0%gcc: libiberty/./d-demangle.c:142: undefined reference to `_intel_fast_memcpy' # - chapel ~cuda ~rocm # llvm-19.1.7: https://github.com/spack/spack/issues/49625
# - lbann # 2024.2 internal compiler error # - cp2k +mpi # dbcsr-2.8.0: FAILED: src/CMakeFiles/dbcsr.dir/dbcsr_api.F-pp.f src/CMakeFiles/dbcsr.dir/dbcsr_api.F.o.ddi:
# - plasma # 2024.2 internal compiler error # - dealii # taskflow@3.7.0: cmake: Taskflow currently supports the following compilers: g++ v7.0 or above, clang++ v6.0 or above
# - quantum-espresso # quantum-espresso: external/mbd/src/mbd_c_api.F90(392): error #6645: The name of the module procedure conflicts with a name in the encompassing scoping unit. [F_C_STRING] # - exago +mpi ~ipopt +hiop ~python +raja ^hiop+raja~sparse # raja-0.14.0: RAJA/pattern/kernel/Tile.hpp:174:30: error: no member named 'block_id' in 'IterableTiler<Iterable>'
# - wps # wps: InstallError: Compiler not recognized nor supported. # - exaworks # py-maturin: rust-lld: error: undefined symbol: _intel_fast_memcpy
# - fftx # fftx-1.2.0: https://github.com/spack/spack/issues/49621
# - fpm # fpm-0.10.0: /tmp/ifx1305151083OkWTRB/ifxqBG60i.i90: error #6405: The same named entity from different modules and/or program units cannot be referenced. [TOML_TABLE]; fpm.F90(32048): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [FPM_MANIFEST_PREPROCESS]
# - geopm-runtime # concretize: c-blosc2: conflicts with '%oneapi';
# - glvis # llvm-17.0.6: https://github.com/spack/spack/issues/49625
# - gptune ~mpispawn # llvm-14.0.6: https://github.com/spack/spack/issues/49625
# - lbann # lbann-0.104: https://github.com/spack/spack/issues/49619
# - libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp # concretize: c-blosc2: conflicts with '%oneapi';
# - nek5000 +mpi ~visit # nek5000-19.0: RuntimeError: Cannot build example: short_tests/eddy.
# - plasma # concretizer: requires("%gcc@4.9:", when="@17.1:")
# - py-deephyper # py-numpy-1.25.2: numpy/distutils/checks/cpu_avx512_knl.c:21:37: error: call to undeclared function '_mm512_exp2a23_pd'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
# - py-jupyterhub # py-maturin: rust-lld: error: undefined symbol: _intel_fast_memcpy
# - warpx ~qed +python ~python_ipo compute=sycl ^py-amrex ~ipo # warpx-25.03: https://github.com/spack/spack/issues/49620
# - wps # wps-4.5: InstallError: Compiler not recognized nor supported.
# PYTHON PACKAGES # PYTHON PACKAGES
- opencv +python3 - opencv +python3
- py-jupyterlab
- py-mpi4py - py-mpi4py
- py-notebook
- py-numba
- py-numpy - py-numpy
- py-openai - py-openai
- py-pandas
- py-plotly
- py-pooch - py-pooch
- py-pytest - py-pytest
- py-scikit-learn - py-scikit-learn
- py-scipy - py-scipy
- py-seaborn - py-seaborn
# - py-horovod # error # --
# - py-jax # error # - py-jupyterlab # py-maturin: rust-lld: error: undefined symbol: _intel_fast_memcpy
# - py-matplotlib # error # - py-notebook # py-maturin: rust-lld: error: undefined symbol: _intel_fast_memcpy
# - py-tensorflow # error # - py-numba # llvm-14.0.6: https://github.com/spack/spack/issues/49625
# - py-torch # error # - py-pandas # llvm-14.0.6: https://github.com/spack/spack/issues/49625
# - py-plotly # py-maturin: rust-lld: error: undefined symbol: _intel_fast_memcpy
# GPU
- aml +level_zero - aml +level_zero
- amrex +sycl - amrex +sycl
- arborx +sycl ^kokkos +sycl +openmp cxxstd=17 +examples - arborx +sycl ^kokkos +sycl +openmp cxxstd=17
- cabana +sycl ^kokkos +sycl +openmp cxxstd=17 +examples - cabana +sycl ^kokkos +sycl +openmp cxxstd=17
- ginkgo +sycl - ginkgo +sycl
- heffte +sycl - kokkos +sycl +openmp cxxstd=17
- kokkos +sycl +openmp cxxstd=17 +examples - sundials +sycl +examples-install cxxstd=17
- kokkos-kernels build_type=Release %oneapi ^kokkos +sycl +openmp cxxstd=17 +examples - tau +mpi +opencl +level_zero +syscall
- petsc +sycl
- sundials +sycl cxxstd=17 +examples-install
- tau +mpi +opencl +level_zero ~pdt +syscall # requires libdrm.so to be installed
- upcxx +level_zero - upcxx +level_zero
- warpx ~qed +python ~python_ipo compute=sycl ^py-amrex ~ipo # qed for https://github.com/ECP-WarpX/picsar/pull/53 prior to 24.09 release; ~ipo for oneAPI 2024.2.0 GPU builds do not support IPO/LTO says CMake, even though pybind11 strongly encourages it
# -- # --
# - hpctoolkit +level_zero # dyninst@12.3.0%gcc: /usr/bin/ld: libiberty/./d-demangle.c:142: undefined reference to `_intel_fast_memcpy'; can't mix intel-tbb@%oneapi with dyninst%gcc # - heffte +sycl # heffte-2.4.1: intel-oneapi-mkl-2024.2.2-yevdna3rfdezkcm6vz4r3gtrz4grkts3/mkl/2024.2/lib//libmkl_sycl_rng.so: undefined reference to `__host_std::sycl_host_floor(sycl::_V1::vec<float, 4>)'
# - slate +sycl # slate: ifx: error #10426: option '-fopenmp-targets' requires '-fiopenmp' # - hpctoolkit +level_zero # hpctoolkit-2024.01.1: gpu/intel/level0/level0-command-process.c:94:61: error: illegal initializer type 'atomic_int' (aka '_Atomic(int)')
# - hypre +sycl # hypre-2.32.0: gpu/intel/level0/level0-command-process.c:94:61: error: illegal initializer type 'atomic_int' (aka '_Atomic(int)')
# - kokkos-kernels ^kokkos +sycl +openmp cxxstd=17 # kokkos-kernels-4.5.01: /opt/intel/oneapi/compiler/2025.1/bin/compiler/../../include/sycl/group_algorithm.hpp:598:31: error: SYCL kernel cannot call an undefined function without SYCL_EXTERNAL attribute
# - petsc +sycl # kokkos-kernels-4.4.01: /opt/intel/oneapi/compiler/2025.1/bin/compiler/../../include/sycl/group_algorithm.hpp:598:31: error: SYCL kernel cannot call an undefined function without SYCL_EXTERNAL attribute
# - slate +sycl # blaspp-2024.10.26: blas/device.hh:46:14: fatal error: 'sycl.hpp' file not found
ci: ci:
pipeline-gen: pipeline-gen:
- build-job: - build-job:
image: ghcr.io/spack/spack/ubuntu22.04-runner-amd64-oneapi-2024.2:2024.09.06 image: ghcr.io/spack/spack/ubuntu22.04-runner-amd64-oneapi-2025.1:2025.03.24
cdash: cdash:
build-group: E4S OneAPI build-group: E4S OneAPI