xsdk: add version 1.0.0 (#40825)

xsdk: add +sycl variant - with amrex, arborx, ginkgo, petsc, sundials

xsdk: add +pflotran variant

xsdk: enable hypre+rocm

xsdk: enable superlu-dist for GPU - but use trilinos~superlu-dist [as that breaks builds]

xsdk: dealii: disable oce as it can cause intel-tbb-2017.6 to be picked up for some builds (for ex: gcc=13) and result in subsequent build failures

1 files changed, 89 insertions, 8 deletions

diff --git a/var/spack/repos/builtin/packages/xsdk/package.py b/var/spack/repos/builtin/packages/xsdk/package.py
index 3e02dbd8b3..2087df88a1 100644
--- a/var/spack/repos/builtin/packages/xsdk/package.py
+++ b/var/spack/repos/builtin/packages/xsdk/package.py
@@ -85,9 +85,11 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     maintainers("balay", "luszczek", "balos1", "shuds13", "v-dobrev")
 
     version("develop")
+    version("1.0.0")
     version("0.8.0")
     version("0.7.0", deprecated=True)
 
+    variant("sycl", default=False, sticky=True, description="Enable sycl variant of xsdk packages")
     variant("trilinos", default=True, sticky=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")
@@ -107,8 +109,14 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     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")
+    variant("pflotran", default=True, description="Enable pflotran package build")
 
-    xsdk_depends_on("hypre@develop+superlu-dist+shared", when="@develop", cuda_var="cuda")
+    xsdk_depends_on(
+        "hypre@develop+superlu-dist+shared", when="@develop", cuda_var="cuda", rocm_var="rocm"
+    )
+    xsdk_depends_on(
+        "hypre@2.30.0+superlu-dist+shared", when="@1.0.0", cuda_var="cuda", rocm_var="rocm"
+    )
     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")
 
@@ -119,6 +127,12 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
         rocm_var="rocm",
     )
     xsdk_depends_on(
+        "mfem@4.6.0+shared+mpi+superlu-dist+petsc+sundials+examples+miniapps",
+        when="@1.0.0",
+        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",
@@ -131,17 +145,27 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
         rocm_var="rocm",
     )
 
-    xsdk_depends_on("superlu-dist@develop", when="@develop")
+    xsdk_depends_on("superlu-dist@develop", when="@develop", cuda_var="cuda", rocm_var="rocm")
+    xsdk_depends_on("superlu-dist@8.2.0", when="@1.0.0", cuda_var="cuda", rocm_var="rocm")
     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("trilinos +superlu-dist", when="@1.0.0: +trilinos ~cuda ~rocm")
     xsdk_depends_on(
-        "trilinos@develop+hypre+superlu-dist+hdf5~mumps+boost"
+        "trilinos@develop+hypre+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@14.4.0+hypre+hdf5~mumps+boost"
+        + "~suite-sparse+tpetra+nox+ifpack2+zoltan+zoltan2+amesos2"
+        + "~exodus~dtk+intrepid2+shards+stratimikos gotype=int"
+        + " cxxstd=17",
+        when="@1.0.0 +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"
@@ -157,11 +181,13 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     )
 
     xsdk_depends_on("datatransferkit@master", when="@develop +trilinos +datatransferkit")
+    xsdk_depends_on("datatransferkit@3.1.1", when="@1.0.0 +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("petsc +batch", when="@0.7.0: ^cray-mpich")
+    xsdk_depends_on("petsc +sycl +kokkos", when="@1.0.0: +sycl")
     xsdk_depends_on(
         "petsc@main+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64",
         when="@develop",
@@ -169,6 +195,12 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
         rocm_var="rocm",
     )
     xsdk_depends_on(
+        "petsc@3.20.1+mpi+hypre+superlu-dist+metis+hdf5~mumps+double~int64",
+        when="@1.0.0",
+        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",
@@ -184,10 +216,15 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     xsdk_depends_on("dealii ~trilinos", when="~trilinos +dealii")
     xsdk_depends_on(
         "dealii@master~assimp~python~doc~gmsh+petsc+slepc+mpi~int64"
-        + "~netcdf+metis+sundials~ginkgo~symengine~nanoflann~simplex~arborx~cgal",
+        + "~netcdf+metis+sundials~ginkgo~symengine~nanoflann~simplex~arborx~cgal~oce",
         when="@develop +dealii",
     )
     xsdk_depends_on(
+        "dealii@9.5.1~assimp~python~doc~gmsh+petsc+slepc+mpi~int64"
+        + "~netcdf+metis+sundials~ginkgo~symengine~simplex~arborx~cgal~oce",
+        when="@1.0.0 +dealii",
+    )
+    xsdk_depends_on(
         "dealii@9.4.0~assimp~python~doc~gmsh+petsc+slepc+mpi~int64"
         + "~netcdf+metis+sundials~ginkgo~symengine~simplex~arborx~cgal",
         when="@0.8.0 +dealii",
@@ -198,16 +235,19 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
         when="@0.7.0 +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@develop", when="@develop +pflotran")
+    xsdk_depends_on("pflotran@5.0.0", when="@1.0.0 +pflotran")
+    xsdk_depends_on("pflotran@4.0.1", when="@0.8.0 +pflotran")
+    xsdk_depends_on("pflotran@3.0.2", when="@0.7.0 +pflotran")
 
     xsdk_depends_on("alquimia@master", when="@develop +alquimia")
+    xsdk_depends_on("alquimia@1.1.0", when="@1.0.0 +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("sundials +trilinos", when="+trilinos @0.7.0:")
     xsdk_depends_on("sundials +ginkgo", when="+ginkgo @0.8.0:")
+    xsdk_depends_on("sundials +sycl cxxstd=17", when="@1.0.0: +sycl")
     xsdk_depends_on(
         "sundials@develop~int64+hypre+petsc+superlu-dist",
         when="@develop",
@@ -215,6 +255,12 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
         rocm_var=["rocm", "?magma"],
     )
     xsdk_depends_on(
+        "sundials@6.6.2~int64+hypre+petsc+superlu-dist",
+        when="@1.0.0",
+        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"],
@@ -228,13 +274,16 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     )
 
     xsdk_depends_on("plasma@develop:", when="@develop %gcc@6.0:")
+    xsdk_depends_on("plasma@23.8.2:", when="@1.0.0 %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("magma@master", when="@develop", cuda_var="?cuda", rocm_var="?rocm")
+    xsdk_depends_on("magma@2.7.1", when="@1.0.0", 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("amrex +sycl", when="@1.0.0: +sycl")
     xsdk_depends_on(
         "amrex@develop+sundials", when="@develop %intel", cuda_var="cuda", rocm_var="rocm"
     )
@@ -244,6 +293,9 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     xsdk_depends_on(
         "amrex@develop+sundials", when="@develop %cce", cuda_var="cuda", rocm_var="rocm"
     )
+    xsdk_depends_on("amrex@23.08+sundials", when="@1.0.0 %intel", cuda_var="cuda", rocm_var="rocm")
+    xsdk_depends_on("amrex@23.08+sundials", when="@1.0.0 %gcc", cuda_var="cuda", rocm_var="rocm")
+    xsdk_depends_on("amrex@23.08+sundials", when="@1.0.0 %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")
@@ -252,33 +304,40 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     xsdk_depends_on("amrex@21.10+sundials", when="@0.7.0 %cce", cuda_var="cuda", rocm_var="rocm")
 
     xsdk_depends_on("slepc@main", when="@develop")
+    xsdk_depends_on("slepc@3.20.0", when="@1.0.0", cuda_var="cuda", rocm_var="rocm")
     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("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@scorec.10.6.0", when="@1.0.0 +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("strumpack ~cuda", when="~cuda @0.7.0: +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@7.2.0", when="@1.0.0 +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("pumi@master+shared", when="@develop")
+    xsdk_depends_on("pumi@2.2.8+shared", when="@1.0.0")
     xsdk_depends_on("pumi@2.2.7+shared", when="@0.8.0")
     xsdk_depends_on("pumi@2.2.6", when="@0.7.0")
 
     tasmanian_openmp = "~openmp" if sys.platform == "darwin" else "+openmp"
     xsdk_depends_on(
-        "tasmanian@develop+xsdkflags+blas" + tasmanian_openmp,
+        "tasmanian@develop+blas" + tasmanian_openmp,
         when="@develop",
         cuda_var=["cuda", "?magma"],
         rocm_var=["rocm", "?magma"],
     )
     xsdk_depends_on(
+        "tasmanian@8.0+mpi+blas" + tasmanian_openmp, when="@1.0.0", cuda_var=["cuda", "?magma"]
+    )
+    xsdk_depends_on(
         "tasmanian@7.9+xsdkflags+mpi+blas" + tasmanian_openmp,
         when="@0.8.0",
         cuda_var=["cuda", "?magma"],
@@ -290,6 +349,8 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     )
 
     xsdk_depends_on("arborx@master", when="@develop +arborx")
+    xsdk_depends_on("arborx+sycl", when="@1.0.0: +arborx +sycl")
+    xsdk_depends_on("arborx@1.4.1", when="@1.0.0 +arborx")
     xsdk_depends_on("arborx@1.2", when="@0.8.0 +arborx")
     xsdk_depends_on("arborx@1.1", when="@0.7.0 +arborx")
 
@@ -302,13 +363,18 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     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@1.12.0 ~fortran ~scamac ~openmp ~host ~int64", when="@1.0.0 +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("ginkgo+sycl", when="@1.0.0: +ginkgo +sycl")
     xsdk_depends_on(
         "ginkgo@develop +mpi ~openmp", when="@develop +ginkgo", cuda_var="cuda", rocm_var="rocm"
     )
     xsdk_depends_on(
+        "ginkgo@1.7.0 +mpi ~openmp", when="@1.0.0 +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(
@@ -317,6 +383,8 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
 
     xsdk_depends_on("py-libensemble@develop+petsc4py", when="@develop +libensemble")
     xsdk_depends_on("py-petsc4py@main", when="@develop +libensemble")
+    xsdk_depends_on("py-libensemble@1.0.0+petsc4py", when="@1.0.0 +libensemble")
+    xsdk_depends_on("py-petsc4py@3.20.1", when="@1.0.0 +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")
@@ -324,11 +392,13 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
 
     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="@1.0.0 +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")
 
     bfpk_openmp = "~openmp" if sys.platform == "darwin" else "+openmp"
     xsdk_depends_on("butterflypack@master", when="@develop +butterflypack")
+    xsdk_depends_on("butterflypack@2.4.0" + bfpk_openmp, when="@1.0.0 +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")
 
@@ -339,6 +409,12 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
         rocm_var=["rocm", "?magma"],
     )
     xsdk_depends_on(
+        "heffte@2.4.0+fftw",
+        when="@1.0.0 +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"],
@@ -352,15 +428,20 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
     )
 
     xsdk_depends_on("slate@master", when="@develop +slate", cuda_var="cuda")
+    xsdk_depends_on("slate@2023.08.25", when="@1.0.0 +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("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@1.6.0~ipopt~hiop~python", when="@1.0.0 +exago ~raja")
+    xsdk_depends_on("exago@1.6.0~ipopt+hiop+raja", when="@1.0.0 +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@1.0.0", when="@1.0.0 +hiop ~raja")
+    xsdk_depends_on("hiop@1.0.0+raja", when="@1.0.0 +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")