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40e4884e8b
spack/var/spack/repos/builtin/packages/xsdk/package.py
Satish Balay 40e4884e8b
xsdk: add version @0.8.0 (#33794) 
- enable sundials+magma+ginkgo
- enable dealii+sundials
- disable dealii~cgal due to build errors
- enable petsc+rocm
- enable slepc+cuda+rocm
- enable strumpack+cuda+slate
- enable slate build with non-gcc compilers
- enable pumi+shared
- enable mfem+shared
- enable ginkgo+mpi
- add hiop
- and exago
  - use exago~ipopt due to mumps~mpi conflict with mpi.h)
  - add raja variant [used by exago/hiop]
    ~raja builds exago in pflow-only mode - i.e exago~hiop~ipopt~python~cuda ^hiop~cuda [Default on MacOS]

Co-authored-by: Cody Balos <balos1@llnl.gov>
2022-11-15 16:52:58 -06:00

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# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
import sys
from copy import deepcopy
from spack.package import *
def xsdk_depends_on_accl(accl_name, accl_var, *args, **kwargs):
if accl_name == "cuda":
accl_arch_name = "cuda_arch"
accl_arch_values = list(deepcopy(CudaPackage.cuda_arch_values))
elif accl_name == "rocm":
accl_arch_name = "amdgpu_target"
accl_arch_values = list(deepcopy(ROCmPackage.amdgpu_targets))
# require ~cuda when xsdk~cuda (and '?cuda' not used)
usedep = 1
args_new = list(deepcopy(args))
if not isinstance(accl_var, list):
accl_var = [accl_var]
for idx, var in enumerate(accl_var):
# skip variants starting with '?' so that
# that that they are left unspecified by xsdk
if not var.startswith("?"):
args_new[0] += " ~%s" % var
else:
accl_var[idx] = var.replace("?", "")
# if '?cuda' skip adding '~cuda' dep
if var == "?" + accl_name:
usedep = 0
kwargs_new = deepcopy(kwargs)
if "when" in kwargs_new:
kwargs_new["when"] += " ~" + accl_name
else:
kwargs_new["when"] = "~" + accl_name
if usedep:
depends_on(*args_new, **kwargs_new)
# require +cuda when xsdk+cuda, and match the arch
for arch in accl_arch_values:
args_new = list(deepcopy(args))
kwargs_new = deepcopy(kwargs)
args_new[0] += "+%s %s=%s" % ("+".join(accl_var), accl_arch_name, str(arch))
if "when" in kwargs_new:
kwargs_new["when"] += " +%s %s=%s" % (accl_name, accl_arch_name, str(arch))
else:
kwargs_new["when"] = "+%s %s=%s" % (accl_name, accl_arch_name, str(arch))
depends_on(*args_new, **kwargs_new)
def xsdk_depends_on(spec, cuda_var="", rocm_var="", **kwargs):
"""
Wrapper for depends_on which can handle propagating cuda and rocm
variants.
Currently, it propagates +cuda_var when xsdk+cuda and rocm_var
when xsdk+rocm. When xsdk~[cuda|rocm], then ~[cuda|rocm]_var is
selected unless the variant string is prefixed with a '?'
(see the tasmanian use below). When '?' prefix is used, then
the variant is left unspecified.
[cuda|rocm]_var can be an array of variant strings or just a single
variant string. The spack '+' and '~' symbols should not appear
in the strings.
"""
if bool(cuda_var):
xsdk_depends_on_accl("cuda", cuda_var, spec, **kwargs)
if bool(rocm_var):
xsdk_depends_on_accl("rocm", rocm_var, spec, **kwargs)
if not bool(cuda_var) and not bool(rocm_var):
depends_on(spec, **kwargs)
class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
"""Xsdk is a suite of Department of Energy (DOE) packages for numerical
simulation. This is a Spack bundle package that installs the xSDK
packages
"""
homepage = "https://xsdk.info"
maintainers = ["balay", "luszczek", "balos1", "shuds13", "v-dobrev"]
version("develop")
version("0.8.0")
version("0.7.0")
version("0.6.0", deprecated=True)
variant("trilinos", default=True, description="Enable trilinos package build")
variant("datatransferkit", default=True, description="Enable datatransferkit package build")
variant("omega-h", default=True, description="Enable omega-h package build")
variant("strumpack", default=True, description="Enable strumpack package build")
variant("dealii", default=True, description="Enable dealii package build")
variant("alquimia", default=True, description="Enable alquimia package build")
variant("phist", default=True, description="Enable phist package build")
variant("ginkgo", default=True, description="Enable ginkgo package build")
variant("libensemble", default=True, description="Enable py-libensemble package build")
variant(
"precice", default=(sys.platform != "darwin"), description="Enable precice package build"
)
variant("butterflypack", default=True, description="Enable butterflypack package build")
variant("heffte", default=True, description="Enable heffte package build")
variant("slate", default=(sys.platform != "darwin"), description="Enable slate package build")
variant("arborx", default=True, description="Enable ArborX build")
variant("exago", default=True, description="Enable exago build")
variant("hiop", default=True, description="Enable hiop build")
variant("raja", default=(sys.platform != "darwin"), description="Enable raja for hiop, exago")
xsdk_depends_on("hypre@develop+superlu-dist+shared", when="@develop", cuda_var="cuda")
xsdk_depends_on("hypre@2.26.0+superlu-dist+shared", when="@0.8.0", cuda_var="cuda")
xsdk_depends_on("hypre@2.23.0+superlu-dist+shared", when="@0.7.0", cuda_var="cuda")
xsdk_depends_on("hypre@2.20.0+superlu-dist+shared", when="@0.6.0")
xsdk_depends_on(
"mfem@develop+shared+mpi+superlu-dist+petsc+sundials+examples+miniapps",
when="@develop",
cuda_var="cuda",
rocm_var="rocm",
)
xsdk_depends_on(
"mfem@4.5.0+shared+mpi+superlu-dist+petsc+sundials+examples+miniapps",
when="@0.8.0",
cuda_var="cuda",
rocm_var="rocm",
)
xsdk_depends_on(
"mfem@4.3.0+mpi+superlu-dist+petsc+sundials+examples+miniapps",
when="@0.7.0",
cuda_var="cuda",
rocm_var="rocm",
)
xsdk_depends_on(
"mfem@4.2.0+mpi+superlu-dist+petsc+sundials+examples+miniapps",
when="@0.6.0",
cuda_var="cuda",
)
xsdk_depends_on("superlu-dist@develop", when="@develop")
xsdk_depends_on("superlu-dist@8.1.2", when="@0.8.0")
xsdk_depends_on("superlu-dist@7.1.1", when="@0.7.0")
xsdk_depends_on("superlu-dist@6.4.0", when="@0.6.0")
xsdk_depends_on(
"trilinos@develop+hypre+superlu-dist+hdf5~mumps+boost"
+ "~suite-sparse+tpetra+nox+ifpack2+zoltan+zoltan2+amesos2"
+ "~exodus~dtk+intrepid2+shards+stratimikos gotype=int"
+ " cxxstd=14",
when="@develop +trilinos",
)
xsdk_depends_on(
"trilinos@13.4.1+hypre+superlu-dist+hdf5~mumps+boost"
+ "~suite-sparse+tpetra+nox+ifpack2+zoltan+zoltan2+amesos2"
+ "~exodus~dtk+intrepid2+shards+stratimikos gotype=int"
+ " cxxstd=14",
when="@0.8.0 +trilinos",
)
xsdk_depends_on(
"trilinos@13.2.0+hypre+superlu-dist+hdf5~mumps+boost"
+ "~suite-sparse+tpetra+nox+ifpack2+zoltan+zoltan2+amesos2"
+ "~exodus~dtk+intrepid2+shards+stratimikos gotype=int"
+ " cxxstd=14",
when="@0.7.0 +trilinos",
)
xsdk_depends_on(
"trilinos@13.0.1+hypre+superlu-dist+hdf5~mumps+boost"
+ "~suite-sparse+tpetra+nox+ifpack2+zoltan+zoltan2+amesos2"
+ "~exodus~dtk+intrepid2+shards gotype=int"
+ " cxxstd=11",
when="@0.6.0 +trilinos",
)
xsdk_depends_on("datatransferkit@master", when="@develop +trilinos +datatransferkit")
dtk7ver = "3.1-rc2" if sys.platform == "darwin" else "3.1-rc3"
xsdk_depends_on("datatransferkit@" + dtk7ver, when="@0.8.0 +trilinos +datatransferkit")
xsdk_depends_on("datatransferkit@" + dtk7ver, when="@0.7.0 +trilinos +datatransferkit")
xsdk_depends_on("datatransferkit@3.1-rc2", when="@0.6.0 +trilinos +datatransferkit")
xsdk_depends_on("petsc +trilinos", when="+trilinos @:0.6.0")
xsdk_depends_on("petsc +batch", when="@0.6.0: ^cray-mpich")
xsdk_depends_on(
"petsc@main+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64",
when="@develop",
cuda_var="cuda",
rocm_var="rocm",
)
xsdk_depends_on(
"petsc@3.18.1+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64",
when="@0.8.0",
cuda_var="cuda",
rocm_var="rocm",
)
xsdk_depends_on(
"petsc@3.16.1+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64",
when="@0.7.0",
cuda_var="cuda",
)
xsdk_depends_on(
"petsc@3.14.1+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64",
when="@0.6.0",
cuda_var="cuda",
)
xsdk_depends_on("dealii +trilinos~adol-c", when="+trilinos +dealii")
xsdk_depends_on("dealii ~trilinos", when="~trilinos +dealii")
xsdk_depends_on(
"dealii@master~assimp~python~doc~gmsh+petsc+slepc+mpi~int64+hdf5"
+ "~netcdf+metis+sundials~ginkgo~symengine~nanoflann~simplex~arborx~cgal",
when="@develop +dealii",
)
xsdk_depends_on(
"dealii@9.4.0~assimp~python~doc~gmsh+petsc+slepc+mpi~int64+hdf5"
+ "~netcdf+metis+sundials~ginkgo~symengine~simplex~arborx~cgal",
when="@0.8.0 +dealii",
)
xsdk_depends_on(
"dealii@9.3.2~assimp~python~doc~gmsh+petsc+slepc+mpi~int64+hdf5"
+ "~netcdf+metis~sundials~ginkgo~symengine~simplex~arborx",
when="@0.7.0 +dealii",
)
xsdk_depends_on(
"dealii@9.2.0~assimp~python~doc~gmsh+petsc+slepc+mpi~int64+hdf5"
+ "~netcdf+metis~sundials~ginkgo~symengine~simplex~arborx",
when="@0.6.0 +dealii",
)
xsdk_depends_on("pflotran@develop", when="@develop")
xsdk_depends_on("pflotran@4.0.1", when="@0.8.0")
xsdk_depends_on("pflotran@3.0.2", when="@0.7.0")
xsdk_depends_on("pflotran@xsdk-0.6.0", when="@0.6.0")
xsdk_depends_on("alquimia@develop", when="@develop +alquimia")
xsdk_depends_on("alquimia@1.0.10", when="@0.8.0 +alquimia")
xsdk_depends_on("alquimia@1.0.9", when="@0.7.0 +alquimia")
xsdk_depends_on("alquimia@xsdk-0.6.0", when="@0.6.0 +alquimia")
xsdk_depends_on("sundials +trilinos", when="+trilinos @0.6.0:")
xsdk_depends_on("sundials +ginkgo", when="+ginkgo @0.8.0:")
xsdk_depends_on(
"sundials@develop~int64+hypre+petsc+superlu-dist",
when="@develop",
cuda_var=["cuda", "?magma"],
rocm_var=["rocm", "?magma"],
)
xsdk_depends_on(
"sundials@6.4.1~int64+hypre+petsc+superlu-dist",
when="@0.8.0",
cuda_var=["cuda", "?magma"],
rocm_var=["rocm", "?magma"],
)
xsdk_depends_on(
"sundials@5.8.0~int64+hypre+petsc+superlu-dist",
when="@0.7.0",
cuda_var="cuda",
rocm_var="rocm",
)
xsdk_depends_on(
"sundials@5.5.0~int64+hypre+petsc+superlu-dist", when="@0.6.0", cuda_var="cuda"
)
xsdk_depends_on("plasma@develop:", when="@develop %gcc@6.0:")
xsdk_depends_on("plasma@22.9.29:", when="@0.8.0 %gcc@6.0:")
xsdk_depends_on("plasma@21.8.29:", when="@0.7.0 %gcc@6.0:")
xsdk_depends_on("plasma@20.9.20:", when="@0.6.0 %gcc@6.0:")
xsdk_depends_on("magma@master", when="@develop", cuda_var="?cuda", rocm_var="?rocm")
xsdk_depends_on("magma@2.7.0", when="@0.8.0", cuda_var="?cuda", rocm_var="?rocm")
xsdk_depends_on("magma@2.6.1", when="@0.7.0", cuda_var="?cuda", rocm_var="?rocm")
xsdk_depends_on("magma@2.5.4", when="@0.6.0", cuda_var="?cuda")
xsdk_depends_on(
"amrex@develop+sundials", when="@develop %intel", cuda_var="cuda", rocm_var="rocm"
)
xsdk_depends_on(
"amrex@develop+sundials", when="@develop %gcc", cuda_var="cuda", rocm_var="rocm"
)
xsdk_depends_on(
"amrex@develop+sundials", when="@develop %cce", cuda_var="cuda", rocm_var="rocm"
)
xsdk_depends_on("amrex@22.09+sundials", when="@0.8.0 %intel", cuda_var="cuda", rocm_var="rocm")
xsdk_depends_on("amrex@22.09+sundials", when="@0.8.0 %gcc", cuda_var="cuda", rocm_var="rocm")
xsdk_depends_on("amrex@22.09+sundials", when="@0.8.0 %cce", cuda_var="cuda", rocm_var="rocm")
xsdk_depends_on("amrex@21.10+sundials", when="@0.7.0 %intel", cuda_var="cuda", rocm_var="rocm")
xsdk_depends_on("amrex@21.10+sundials", when="@0.7.0 %gcc", cuda_var="cuda", rocm_var="rocm")
xsdk_depends_on("amrex@21.10+sundials", when="@0.7.0 %cce", cuda_var="cuda", rocm_var="rocm")
xsdk_depends_on("amrex@20.10", when="@0.6.0 %intel")
xsdk_depends_on("amrex@20.10", when="@0.6.0 %gcc")
xsdk_depends_on("slepc@main", when="@develop")
xsdk_depends_on("slepc@3.18.1", when="@0.8.0", cuda_var="cuda", rocm_var="rocm")
xsdk_depends_on("slepc@3.16.0", when="@0.7.0")
xsdk_depends_on("slepc@3.14.0", when="@0.6.0")
xsdk_depends_on("omega-h +trilinos", when="+trilinos +omega-h")
xsdk_depends_on("omega-h ~trilinos", when="~trilinos +omega-h")
xsdk_depends_on("omega-h@main", when="@develop +omega-h")
xsdk_depends_on("omega-h@9.34.13", when="@0.8.0 +omega-h")
xsdk_depends_on("omega-h@9.34.1", when="@0.7.0 +omega-h")
xsdk_depends_on("omega-h@9.32.5", when="@0.6.0 +omega-h")
xsdk_depends_on("strumpack ~cuda", when="~cuda @0.6.0: +strumpack")
xsdk_depends_on("strumpack ~slate~openmp", when="~slate @0.8.0: +strumpack")
xsdk_depends_on("strumpack@master", when="@develop +strumpack", cuda_var=["cuda"])
xsdk_depends_on("strumpack@7.0.1", when="@0.8.0 +strumpack", cuda_var=["cuda"])
xsdk_depends_on("strumpack@6.1.0~slate~openmp", when="@0.7.0 +strumpack")
xsdk_depends_on("strumpack@5.0.0~slate~openmp", when="@0.6.0 +strumpack")
xsdk_depends_on("pumi@master+shared", when="@develop")
xsdk_depends_on("pumi@2.2.7+shared", when="@0.8.0")
xsdk_depends_on("pumi@2.2.6", when="@0.7.0")
xsdk_depends_on("pumi@2.2.5", when="@0.6.0")
tasmanian_openmp = "~openmp" if sys.platform == "darwin" else "+openmp"
xsdk_depends_on(
"tasmanian@develop+xsdkflags+blas" + tasmanian_openmp,
when="@develop",
cuda_var=["cuda", "?magma"],
rocm_var=["rocm", "?magma"],
)
xsdk_depends_on(
"tasmanian@7.9+xsdkflags+mpi+blas" + tasmanian_openmp,
when="@0.8.0",
cuda_var=["cuda", "?magma"],
)
xsdk_depends_on(
"tasmanian@7.7+xsdkflags+mpi+blas" + tasmanian_openmp,
when="@0.7.0",
cuda_var=["cuda", "?magma"],
)
xsdk_depends_on(
"tasmanian@7.3+xsdkflags+mpi+blas" + tasmanian_openmp,
when="@0.6.0",
cuda_var=["cuda", "?magma"],
)
xsdk_depends_on("arborx@master", when="@develop +arborx")
xsdk_depends_on("arborx@1.2", when="@0.8.0 +arborx")
xsdk_depends_on("arborx@1.1", when="@0.7.0 +arborx")
# the Fortran 2003 bindings of phist require python@3:, but this
# creates a conflict with other packages like petsc@main. Actually
# these are type='build' dependencies, but spack reports a conflict anyway.
# This will be fixed once the new concretizer becomes available
# (says @adamjstewart)
xsdk_depends_on("phist kernel_lib=tpetra", when="+trilinos +phist")
xsdk_depends_on("phist kernel_lib=petsc", when="~trilinos +phist")
xsdk_depends_on("phist@develop ~fortran ~scamac ~openmp ~host ~int64", when="@develop +phist")
xsdk_depends_on("phist@1.11.2 ~fortran ~scamac ~openmp ~host ~int64", when="@0.8.0 +phist")
xsdk_depends_on("phist@1.9.5 ~fortran ~scamac ~openmp ~host ~int64", when="@0.7.0 +phist")
xsdk_depends_on("phist@1.9.3 ~fortran ~scamac ~openmp ~host ~int64", when="@0.6.0 +phist")
xsdk_depends_on(
"ginkgo@develop +mpi ~openmp", when="@develop +ginkgo", cuda_var="cuda", rocm_var="rocm"
)
xsdk_depends_on(
"ginkgo@1.5.0 +mpi ~openmp", when="@0.8.0 +ginkgo", cuda_var="cuda", rocm_var="rocm"
)
xsdk_depends_on(
"ginkgo@1.4.0 ~openmp", when="@0.7.0 +ginkgo", cuda_var="cuda", rocm_var="rocm"
)
xsdk_depends_on("ginkgo@1.3.0 ~openmp", when="@0.6.0 +ginkgo", cuda_var="cuda")
xsdk_depends_on("py-libensemble@develop+petsc4py", when="@develop +libensemble")
xsdk_depends_on("py-petsc4py@main", when="@develop +libensemble")
xsdk_depends_on("py-libensemble@0.9.3+petsc4py", when="@0.8.0 +libensemble")
xsdk_depends_on("py-petsc4py@3.18.1", when="@0.8.0 +libensemble")
xsdk_depends_on("py-libensemble@0.8.0+petsc4py", when="@0.7.0 +libensemble")
xsdk_depends_on("py-petsc4py@3.16.1", when="@0.7.0 +libensemble")
xsdk_depends_on("py-libensemble@0.7.1+petsc4py", when="@0.6.0 +libensemble")
xsdk_depends_on("py-petsc4py@3.14.0", when="@0.6.0 +libensemble")
xsdk_depends_on("precice ~petsc", when="+precice ^cray-mpich")
xsdk_depends_on("precice@develop", when="@develop +precice")
xsdk_depends_on("precice@2.5.0", when="@0.8.0 +precice")
xsdk_depends_on("precice@2.3.0", when="@0.7.0 +precice")
xsdk_depends_on("precice@2.1.1", when="@0.6.0 +precice")
bfpk_openmp = "~openmp" if sys.platform == "darwin" else "+openmp"
xsdk_depends_on("butterflypack@master", when="@develop +butterflypack")
xsdk_depends_on("butterflypack@2.2.2" + bfpk_openmp, when="@0.8.0 +butterflypack")
xsdk_depends_on("butterflypack@2.0.0", when="@0.7.0 +butterflypack")
xsdk_depends_on("butterflypack@1.2.1", when="@0.6.0 +butterflypack")
xsdk_depends_on(
"heffte@develop+fftw",
when="@develop +heffte",
cuda_var=["cuda", "?magma"],
rocm_var=["rocm", "?magma"],
)
xsdk_depends_on(
"heffte@2.3.0+fftw",
when="@0.8.0 +heffte",
cuda_var=["cuda", "?magma"],
rocm_var=["rocm", "?magma"],
)
xsdk_depends_on(
"heffte@2.2.0+fftw",
when="@0.7.0 +heffte",
cuda_var=["cuda", "?magma"],
rocm_var=["rocm", "?magma"],
)
xsdk_depends_on("heffte@2.0.0+fftw", when="@0.6.0 +heffte", cuda_var=["cuda", "?magma"])
xsdk_depends_on("slate@master", when="@develop +slate", cuda_var="cuda")
xsdk_depends_on("slate@2022.07.00", when="@0.8.0 +slate", cuda_var="cuda")
xsdk_depends_on("slate@2021.05.02", when="@0.7.0 +slate %gcc@6.0:", cuda_var="cuda")
xsdk_depends_on("slate@2020.10.00", when="@0.6.0 +slate %gcc@6.0:", cuda_var="cuda")
xsdk_depends_on("exago@develop~ipopt~hiop~python", when="@develop +exago ~raja")
xsdk_depends_on("exago@develop~ipopt+hiop+raja", when="@develop +exago +raja", cuda_var="cuda")
xsdk_depends_on("exago@1.5.0~ipopt~hiop~python", when="@0.8.0 +exago ~raja")
xsdk_depends_on("exago@1.5.0~ipopt+hiop+raja", when="@0.8.0 +exago +raja", cuda_var="cuda")
xsdk_depends_on("hiop@develop", when="@develop +hiop ~raja")
xsdk_depends_on("hiop@develop+raja", when="@develop +hiop +raja", cuda_var="cuda")
xsdk_depends_on("hiop@0.7.1", when="@0.8.0 +hiop ~raja")
xsdk_depends_on("hiop@0.7.1+raja", when="@0.8.0 +hiop +raja", cuda_var="cuda")
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