RADIUSS packages update (Starting over spack#39613) (spack#41375)

LydDeb · Apr 2, 2024 · 92b1c8f · 92b1c8f
1 parent 2b29ecd
commit 92b1c8f
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Showing 27 changed files with 837 additions and 220 deletions.
diff --git a/lib/spack/spack/build_systems/cached_cmake.py b/lib/spack/spack/build_systems/cached_cmake.py
@@ -4,6 +4,7 @@
 # SPDX-License-Identifier: (Apache-2.0 OR MIT)
 import collections.abc
 import os
+import re
 from typing import Tuple
 
 import llnl.util.filesystem as fs
@@ -15,6 +16,12 @@
 from .cmake import CMakeBuilder, CMakePackage
 
 
+def spec_uses_toolchain(spec):
+    gcc_toolchain_regex = re.compile(".*gcc-toolchain.*")
+    using_toolchain = list(filter(gcc_toolchain_regex.match, spec.compiler_flags["cxxflags"]))
+    return using_toolchain
+
+
 def cmake_cache_path(name, value, comment="", force=False):
     """Generate a string for a cmake cache variable"""
     force_str = " FORCE" if force else ""
@@ -132,6 +139,11 @@ def initconfig_compiler_entries(self):
             "endif()\n",
         ]
 
+        # We defined hipcc as top-level compiler for packages when +rocm.
+        # This avoid problems coming from rocm flags being applied to another compiler.
+        if "+rocm" in spec:
+            entries.insert(0, cmake_cache_path("CMAKE_CXX_COMPILER", self.spec["hip"].hipcc))
+
         flags = spec.compiler_flags
 
         # use global spack compiler flags
@@ -213,7 +225,7 @@ def initconfig_mpi_entries(self):
         else:
             # starting with cmake 3.10, FindMPI expects MPIEXEC_EXECUTABLE
             # vs the older versions which expect MPIEXEC
-            if self.pkg.spec["cmake"].satisfies("@3.10:"):
+            if spec["cmake"].satisfies("@3.10:"):
                 entries.append(cmake_cache_path("MPIEXEC_EXECUTABLE", mpiexec))
             else:
                 entries.append(cmake_cache_path("MPIEXEC", mpiexec))
@@ -248,12 +260,17 @@ def initconfig_hardware_entries(self):
             # Include the deprecated CUDA_TOOLKIT_ROOT_DIR for supporting BLT packages
             entries.append(cmake_cache_path("CUDA_TOOLKIT_ROOT_DIR", cudatoolkitdir))
 
-            archs = spec.variants["cuda_arch"].value
-            if archs[0] != "none":
-                arch_str = ";".join(archs)
-                entries.append(
-                    cmake_cache_string("CMAKE_CUDA_ARCHITECTURES", "{0}".format(arch_str))
-                )
+            # CUDA_FLAGS
+            cuda_flags = []
+
+            if not spec.satisfies("cuda_arch=none"):
+                cuda_archs = ";".join(spec.variants["cuda_arch"].value)
+                entries.append(cmake_cache_string("CMAKE_CUDA_ARCHITECTURES", cuda_archs))
+
+            if spec_uses_toolchain(spec):
+                cuda_flags.append("-Xcompiler {}".format(spec_uses_toolchain(spec)[0]))
+
+            entries.append(cmake_cache_string("CMAKE_CUDA_FLAGS", " ".join(cuda_flags)))
 
         if "+rocm" in spec:
             entries.append("#------------------{0}".format("-" * 30))
@@ -262,9 +279,6 @@ def initconfig_hardware_entries(self):
 
             # Explicitly setting HIP_ROOT_DIR may be a patch that is no longer necessary
             entries.append(cmake_cache_path("HIP_ROOT_DIR", "{0}".format(spec["hip"].prefix)))
-            entries.append(
-                cmake_cache_path("HIP_CXX_COMPILER", "{0}".format(self.spec["hip"].hipcc))
-            )
             llvm_bin = spec["llvm-amdgpu"].prefix.bin
             llvm_prefix = spec["llvm-amdgpu"].prefix
             # Some ROCm systems seem to point to /<path>/rocm-<ver>/ and
@@ -277,11 +291,9 @@ def initconfig_hardware_entries(self):
             archs = self.spec.variants["amdgpu_target"].value
             if archs[0] != "none":
                 arch_str = ";".join(archs)
-                entries.append(
-                    cmake_cache_string("CMAKE_HIP_ARCHITECTURES", "{0}".format(arch_str))
-                )
-                entries.append(cmake_cache_string("AMDGPU_TARGETS", "{0}".format(arch_str)))
-                entries.append(cmake_cache_string("GPU_TARGETS", "{0}".format(arch_str)))
+                entries.append(cmake_cache_string("CMAKE_HIP_ARCHITECTURES", arch_str))
+                entries.append(cmake_cache_string("AMDGPU_TARGETS", arch_str))
+                entries.append(cmake_cache_string("GPU_TARGETS", arch_str))
 
         return entries
 

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/data-vis-sdk/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/data-vis-sdk/spack.yaml
@@ -1,6 +1,8 @@
 spack:
   view: false
   packages:
+    all:
+      require: target=x86_64_v3
     cmake:
       variants: ~ownlibs
     ecp-data-vis-sdk:
@@ -20,8 +22,6 @@ spack:
       require: '@14:'
       # Minimize LLVM
       variants: ~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none
-    all:
-      require: target=x86_64_v3
 
   definitions:
   - paraview_specs:

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-rhel/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-rhel/spack.yaml
@@ -81,7 +81,7 @@ spack:
   - boost +python +filesystem +iostreams +system
   - cabana
   - caliper
-  - chai ~benchmarks ~tests
+  - chai
   - charliecloud
   - conduit
   # - cp2k +mpi         # libxsmm: ftn-78 ftn: ERROR in command linel; The -f option has an invalid argument, "tree-vectorize".

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-sles/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-cray-sles/spack.yaml
@@ -71,7 +71,7 @@ spack:
   - butterflypack
   - boost +python +filesystem +iostreams +system
   - cabana
-  - chai ~benchmarks ~tests
+  - chai
   - conduit
   # - cp2k +mpi         # cp2k: Error: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/COMPLEX(4)).
   - datatransferkit

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse-v2/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse-v2/spack.yaml
@@ -64,7 +64,7 @@ spack:
   - butterflypack
   - cabana
   - caliper
-  - chai ~benchmarks ~tests
+  - chai
   - charliecloud
   - conduit
   - cp2k +mpi
@@ -214,7 +214,7 @@ spack:
   - 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 ~benchmarks ~tests +cuda cuda_arch=75 ^umpire ~shared
+  - 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
@@ -261,7 +261,7 @@ spack:
   - 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 ~benchmarks ~tests +cuda cuda_arch=80 ^umpire ~shared
+  - 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
@@ -308,7 +308,7 @@ spack:
   - 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 ~benchmarks ~tests +cuda cuda_arch=90 ^umpire ~shared
+  - 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

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml
@@ -64,13 +64,13 @@ spack:
   - butterflypack
   - cabana
   - caliper
-  - chai ~benchmarks ~tests
+  - 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: ?
+  - ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc ~visit +vtkm +zfp # +visit: ?
   - exaworks
   - flecsi
   - flit
@@ -214,7 +214,7 @@ spack:
   - 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 ~benchmarks ~tests +cuda cuda_arch=75 ^umpire ~shared
+  - 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
@@ -261,7 +261,7 @@ spack:
   - 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 ~benchmarks ~tests +cuda cuda_arch=80 ^umpire ~shared
+  - 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
@@ -308,7 +308,7 @@ spack:
   - 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 ~benchmarks ~tests +cuda cuda_arch=90 ^umpire ~shared
+  - 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

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml
@@ -76,7 +76,7 @@ spack:
   - butterflypack
   - cabana
   - caliper
-  - chai ~benchmarks ~tests
+  - chai
   - charliecloud
   - conduit
   # - cp2k +mpi # dbcsr

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml
@@ -65,7 +65,7 @@ spack:
   - butterflypack
   - cabana
   - caliper
-  - chai ~benchmarks ~tests
+  - chai
   - charliecloud
   - conduit
   - cp2k +mpi
@@ -218,7 +218,7 @@ spack:
   - amrex +cuda cuda_arch=70
   - arborx +cuda cuda_arch=70 ^kokkos +wrapper
   - caliper +cuda cuda_arch=70
-  - chai ~benchmarks ~tests +cuda cuda_arch=70 ^umpire ~shared
+  - chai +cuda cuda_arch=70 ^umpire ~shared
   # - cp2k +mpi +cuda cuda_arch=70 # dbcsr
   - ecp-data-vis-sdk ~rocm +adios2 ~ascent +hdf5 +vtkm +zfp ~paraview +cuda cuda_arch=70
   - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=70 ~ipopt ^[email protected] ~sparse +mpi +raja ~rocm +cuda cuda_arch=70 #^[email protected]

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-rocm-external/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-rocm-external/spack.yaml
@@ -214,7 +214,7 @@ spack:
   - arborx +rocm amdgpu_target=gfx908
   - cabana +rocm amdgpu_target=gfx908
   - caliper +rocm amdgpu_target=gfx908
-  - chai ~benchmarks +rocm amdgpu_target=gfx908
+  - chai +rocm amdgpu_target=gfx908
   # - cp2k +mpi +rocm amdgpu_target=gfx908 # cp2k: Error: KeyError: 'No spec with name rocm in... "-L{}".format(spec["rocm"].libs.directories[0]),
   - ecp-data-vis-sdk +paraview +vtkm +rocm amdgpu_target=gfx908
   - exago +mpi +python +raja +hiop +rocm amdgpu_target=gfx908 ~ipopt cxxflags="-Wno-error=non-pod-varargs" ^[email protected] ~sparse +mpi +raja +rocm amdgpu_target=gfx908
@@ -256,7 +256,7 @@ spack:
   - 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
   # - cp2k +mpi +rocm amdgpu_target=gfx90a # cp2k: Error: KeyError: 'No spec with name rocm in... "-L{}".format(spec["rocm"].libs.directories[0]),
   - ecp-data-vis-sdk +paraview +vtkm +rocm amdgpu_target=gfx90a
   - exago +mpi +python +raja +hiop +rocm amdgpu_target=gfx90a ~ipopt cxxflags="-Wno-error=non-pod-varargs" ^[email protected] ~sparse +mpi +raja +rocm amdgpu_target=gfx90a  

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml
@@ -69,7 +69,7 @@ spack:
   - butterflypack
   - cabana
   - caliper
-  - chai ~benchmarks ~tests
+  - chai
   - charliecloud
   - conduit
   - cp2k +mpi
@@ -78,7 +78,7 @@ spack:
   - 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
+  - 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
   - flecsi
   - flit
@@ -222,7 +222,7 @@ spack:
   # - 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 ~benchmarks ~tests +cuda cuda_arch=80 ^umpire ~shared
+  # - chai +cuda cuda_arch=80 ^umpire ~shared
   # - 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
@@ -269,7 +269,7 @@ spack:
   # - 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 ~benchmarks ~tests +cuda cuda_arch=90 ^umpire ~shared
+  # - chai +cuda cuda_arch=90 ^umpire ~shared
   # - cusz +cuda cuda_arch=90
   # - flecsi +cuda cuda_arch=90
   # - ginkgo +cuda cuda_arch=90
@@ -320,7 +320,7 @@ spack:
   # - arborx +rocm amdgpu_target=gfx908
   # - cabana +rocm amdgpu_target=gfx908
   # - caliper +rocm amdgpu_target=gfx908
-  # - chai ~benchmarks +rocm amdgpu_target=gfx908
+  # - chai +rocm amdgpu_target=gfx908
   # - ecp-data-vis-sdk +paraview +vtkm +rocm amdgpu_target=gfx908
   # - gasnet +rocm amdgpu_target=gfx908
   # - ginkgo +rocm amdgpu_target=gfx908
@@ -361,7 +361,7 @@ spack:
   # - 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

diff --git a/share/spack/gitlab/cloud_pipelines/stacks/radiuss/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/radiuss/spack.yaml
@@ -18,7 +18,7 @@ spack:
       - blt
       - caliper
       #- care  ## ~benchmarks ~examples ~tests
-      #- chai  ## ~benchmarks ~examples ~tests
+      #- chai  ## ~examples
       - conduit  # ^hdf5+shared
       - flux-core
       #- flux-sched

diff --git a/var/spack/repos/builtin/packages/ascent/package.py b/var/spack/repos/builtin/packages/ascent/package.py
@@ -185,7 +185,10 @@ class Ascent(CMakePackage, CudaPackage):
     # RAJA and Umpire
     #######################
     depends_on("raja", when="+raja")
+    depends_on("raja+openmp", when="+raja +openmp")
+    depends_on("raja~openmp", when="+raja ~openmp")
     depends_on("umpire", when="+umpire")
+    depends_on("umpire@:2023.06.0", when="@:0.9.2 +umpire")
 
     #######################
     # BabelFlow

diff --git a/var/spack/repos/builtin/packages/axom/package.py b/var/spack/repos/builtin/packages/axom/package.py
@@ -104,7 +104,7 @@ class Axom(CachedCMakePackage, CudaPackage, ROCmPackage):
     depends_on("[email protected]:", type="build", when="+rocm")
 
     depends_on("blt", type="build")
-    depends_on("[email protected]:", type="build", when="@0.6.1:")
+    depends_on("[email protected]:0.5.3", type="build", when="@0.6.1:")
 
     depends_on("mpi", when="+mpi")
 
@@ -122,13 +122,13 @@ class Axom(CachedCMakePackage, CudaPackage, ROCmPackage):
     depends_on("scr~fortran", when="+scr~fortran")
 
     with when("+umpire"):
-        depends_on("[email protected]:", when="@0.7.0:")
+        depends_on("[email protected]:2023.06", when="@0.7.0:")
         depends_on("[email protected]", when="@0.6.0")
         depends_on("umpire@5:5.0.1", when="@:0.5.0")
         depends_on("umpire +openmp", when="+openmp")
 
     with when("+raja"):
-        depends_on("[email protected]:", when="@0.7.0:")
+        depends_on("[email protected]:2023.06", when="@0.7.0:")
         depends_on("[email protected]", when="@0.6.0")
         depends_on("raja@:0.13.0", when="@:0.5.0")
         depends_on("raja~openmp", when="~openmp")