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xSDK examples v0.4.0 (#37295)

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* [xsdk-examples] Initial commit for v0.4.0

* [xsdk-examples] v0.4.0 depends on xsdk@0.8.0

* add in missing xsdk dependencies

* [xsdk-examples] remove repeated 'depends_on' directive

* [xsdk-examples] simplify and extend a bit the package

[mfem] process more optional dependencies of HiOp

[strumpack, superlu-dist] add a workaround for an issue on Mac

* [mfem] fix the handling of the hiop dependency

* [@spackbot] updating style on behalf of v-dobrev

* [xsdk-examples] enable 'heffte' and 'tasmanian' if enabled in 'xsdk'

* [xsdk-examples] Add PUMI dependency

* [xsdk-examples] Add preCICE dependency

* [xsdk-examples] add +rocm

* heffte: add in a backport fix for building xsdk-examples with cuda

* [xsdk] Remove the explicit requirement for deal.II to be built +hdf5

* ENABLE_ROCM -> ENABLE_HIP

* [hiop] Workaround for CMake not finding Cray's BLAS (libsci)

[xsdk-examples] Set CUDA/HIP architectures; sync cuda/rocm variants with xsdk

* [@spackbot] updating style on behalf of v-dobrev

* [exago] Workaround for CMake not finding Cray's LAPACK/BLAS, libsci

[mfem] Tweaks for running tests under Flux and PBS

* [slate] Pass CUDA/HIP architectures to CMake

* [heffte] For newer CMake versions, set CMAKE_CUDA_ARCHITECTURES

* [hypre] Patch v2.26.0 to fix sequential compilation in 'src/seq_mv'

* [xsdk-examples] Some tweaks in dependencies and compilers used

* [xsdk] Make the 'trilinos' variant sticky

[xsdk-examples] Tweak dependencies

* [slate] Fix copy-paste error

* [xsdk-examples] Workaround for CMakePackage not having the legacy
   property 'build_directory'

* [xsdk-examples] Replace the testing branch used temporarily for v0.4.0 with
                the official release

---------

Co-authored-by: Satish Balay <balay@mcs.anl.gov>
This commit is contained in:
Veselin Dobrev 2023-05-31 18:57:53 -07:00 committed by GitHub
parent 543b697df1
commit 6f6489a2c7
No known key found for this signature in database
GPG Key ID: 4AEE18F83AFDEB23
11 changed files with 118 additions and 46 deletions
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1
var/spack/repos/builtin/packages/exago/package.py
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@ -179,6 +179,7 @@ def cmake_args(self):
self.define_from_variant("EXAGO_ENABLE_IPOPT", "ipopt"),
self.define_from_variant("EXAGO_ENABLE_PYTHON", "python"),
self.define_from_variant("EXAGO_ENABLE_LOGGING", "logging"),
self.define("LAPACK_LIBRARIES", spec["lapack"].libs + spec["blas"].libs),
]
)

13
var/spack/repos/builtin/packages/heffte/cmake-magma-v230.patch Normal file
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@ -0,0 +1,13 @@
diff --git a/cmake/HeffteConfig.cmake b/cmake/HeffteConfig.cmake
index 8bbe907..df1cf86 100644
--- a/cmake/HeffteConfig.cmake
+++ b/cmake/HeffteConfig.cmake
@@ -51,7 +51,7 @@ if (@Heffte_ENABLE_MAGMA@ AND NOT TARGET Heffte::MAGMA)
set_target_properties(Heffte::MAGMA PROPERTIES INTERFACE_INCLUDE_DIRECTORIES @HeffteMAGMA_INCLUDES@)
if (@Heffte_ENABLE_CUDA@)
list(FILTER CUDA_CUBLAS_LIBRARIES EXCLUDE REGEX "-NOTFOUND$") # work-around CMake 3.10 + CUDA 10
- target_link_libraries(Heffte Heffte::MAGMA INTERFACE ${CUDA_CUBLAS_LIBRARIES})
+ target_link_libraries(Heffte::MAGMA INTERFACE ${CUDA_CUBLAS_LIBRARIES})
endif()
if (@Heffte_ENABLE_ROCM@)
find_package(rocblas REQUIRED)

3
var/spack/repos/builtin/packages/heffte/package.py
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@ -49,6 +49,7 @@ class Heffte(CMakePackage, CudaPackage, ROCmPackage):
patch("threads10.patch", when="@1.0")
patch("fortran200.patch", when="@2.0.0")
patch("cmake-magma-v230.patch", when="@2.3.0")
depends_on("cmake@3.10:", type=("build", "run"))
depends_on("cmake@3.19:", when="@develop", type=("build", "run"))
@ -113,6 +114,8 @@ def cmake_args(self):
nvcc_flags += "{0};".format(nvflag)
args.append("-DCUDA_NVCC_FLAGS={0}".format(nvcc_flags))
archs = ";".join(cuda_arch)
args.append("-DCMAKE_CUDA_ARCHITECTURES=%s" % archs)
if "+rocm" in self.spec and self.spec.satisfies("@:2.3.0"):
args.append("-DCMAKE_CXX_COMPILER={0}".format(self.spec["hip"].hipcc))

2
var/spack/repos/builtin/packages/hiop/package.py
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@ -153,6 +153,8 @@ def cmake_args(self):
args.extend(
[
self.define("HIOP_BUILD_STATIC", True),
self.define("BLAS_FOUND", True),
self.define("BLAS_LIBRARIES", spec["blas"].libs),
self.define("LAPACK_FOUND", True),
self.define("LAPACK_LIBRARIES", spec["lapack"].libs + spec["blas"].libs),
self.define_from_variant("HIOP_BUILD_SHARED", "shared"),

4
var/spack/repos/builtin/packages/hypre/package.py
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@ -91,6 +91,10 @@ class Hypre(AutotoolsPackage, CudaPackage, ROCmPackage):
# Patch to get config flags right
patch("detect-compiler.patch", when="@2.15.0:2.20.0")
@when("@2.26.0")
def patch(self): # fix sequential compilation in 'src/seq_mv'
filter_file("\tmake", "\t$(MAKE)", "src/seq_mv/Makefile")
depends_on("mpi", when="+mpi")
depends_on("blas")
depends_on("lapack")

27
var/spack/repos/builtin/packages/mfem/package.py
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@ -537,7 +537,10 @@ def find_optional_library(name, prefix):
mfem_mpiexec = "jsrun"
mfem_mpiexec_np = "-p"
elif "FLUX_EXEC_PATH" in os.environ:
mfem_mpiexec = "flux mini run"
mfem_mpiexec = "flux run"
mfem_mpiexec_np = "-n"
elif "PBS_JOBID" in os.environ:
mfem_mpiexec = "mpiexec"
mfem_mpiexec_np = "-n"
metis5_str = "NO"
@ -1025,12 +1028,28 @@ def find_optional_library(name, prefix):
if "+hiop" in spec:
hiop = spec["hiop"]
hiop_hdrs = hiop.headers
hiop_libs = hiop.libs
hiop_hdrs += spec["lapack"].headers + spec["blas"].headers
hiop_libs += spec["lapack"].libs + spec["blas"].libs
if "^magma" in hiop:
hiop_libs += hiop["magma"].libs
hiop_opt_libs = ["magma", "umpire"]
for opt_lib in hiop_opt_libs:
if "^" + opt_lib in hiop:
hiop_hdrs += hiop[opt_lib].headers
hiop_libs += hiop[opt_lib].libs
# raja's libs property does not work
if "^raja" in hiop:
raja = hiop["raja"]
hiop_hdrs += raja.headers
hiop_libs += find_libraries(
"libRAJA", raja.prefix, shared=("+shared" in raja), recursive=True
)
if raja.satisfies("^camp"):
camp = raja["camp"]
hiop_hdrs += camp.headers
hiop_libs += find_optional_library("libcamp", camp.prefix)
options += [
"HIOP_OPT=-I%s" % hiop.prefix.include,
"HIOP_OPT=%s" % hiop_hdrs.cpp_flags,
"HIOP_LIB=%s" % ld_flags_from_library_list(hiop_libs),
]

7
var/spack/repos/builtin/packages/slate/package.py
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@ -102,6 +102,13 @@ def cmake_args(self):
backend_config,
"-Duse_mpi=%s" % ("+mpi" in spec),
]
if "+cuda" in spec:
archs = ";".join(spec.variants["cuda_arch"].value)
config.append("-DCMAKE_CUDA_ARCHITECTURES=%s" % archs)
if "+rocm" in spec:
archs = ";".join(spec.variants["amdgpu_target"].value)
config.append("-DCMAKE_HIP_ARCHITECTURES=%s" % archs)
if self.run_tests:
config.append("-DSCALAPACK_LIBRARIES=%s" % spec["scalapack"].libs.joined(";"))
return config

4
var/spack/repos/builtin/packages/strumpack/package.py
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@ -139,6 +139,10 @@ def cmake_args(self):
)
args.extend([self.define_from_variant("STRUMPACK_C_INTERFACE", "c_interface")])
# Workaround for linking issue on Mac:
if spec.satisfies("%apple-clang +mpi"):
args.append("-DCMAKE_Fortran_COMPILER=%s" % spec["mpi"].mpifc)
if "+cuda" in spec:
args.extend(
[

4
var/spack/repos/builtin/packages/superlu-dist/package.py
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@ -123,6 +123,10 @@ def append_from_variant(*args):
"HIP_HIPCC_FLAGS", "--amdgpu-target=" + ",".join(rocm_archs) + " -I/" + mpiinc
)
# Workaround for linking issue on Mac:
if spec.satisfies("%apple-clang"):
append_define("CMAKE_Fortran_COMPILER", spec["mpi"].mpifc)
append_from_variant("BUILD_SHARED_LIBS", "shared")
return cmake_args

93
var/spack/repos/builtin/packages/xsdk-examples/package.py
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@ -7,7 +7,7 @@
from spack.package import *
class XsdkExamples(CMakePackage, CudaPackage):
class XsdkExamples(CMakePackage, CudaPackage, ROCmPackage):
"""xSDK Examples show usage of libraries in the xSDK package."""
homepage = "http://xsdk.info"
@ -17,6 +17,7 @@ class XsdkExamples(CMakePackage, CudaPackage):
maintainers("balay", "luszczek", "balos1", "shuds13", "v-dobrev")
version("develop", branch="master")
version("0.4.0", sha256="de54e02e0222420976a2f4cf0a6230e4bb625b443c66500fa1441032db206df9")
version("0.3.0", sha256="e7444a403c0a69eeeb34a4068be4d6f4e5b54cbfd275629019b9236a538a739e")
version(
"0.2.0",
@ -25,10 +26,25 @@ class XsdkExamples(CMakePackage, CudaPackage):
)
depends_on("xsdk+cuda", when="+cuda")
depends_on("xsdk~cuda", when="~cuda")
for sm_ in CudaPackage.cuda_arch_values:
depends_on("xsdk+cuda cuda_arch={0}".format(sm_), when="+cuda cuda_arch={0}".format(sm_))
depends_on("xsdk+rocm", when="+rocm")
depends_on("xsdk~rocm", when="~rocm")
for ac_ in ROCmPackage.amdgpu_targets:
depends_on(
"xsdk+rocm amdgpu_target={0}".format(ac_), when="+rocm amdgpu_target={0}".format(ac_)
)
depends_on("xsdk@develop", when="@develop")
# Use ^dealii~hdf5 because of HDF5 linking issue in deal.II 9.4.0.
# Disable 'arborx' to remove the 'kokkos' dependency which conflicts with
# the internal Kokkos used by 'trilinos':
depends_on("xsdk@0.8.0 ~arborx ^mfem+pumi ^dealii~hdf5", when="@0.4.0")
depends_on("xsdk@0.8.0 ^mfem+strumpack", when="@0.4.0 ^xsdk+strumpack")
depends_on("xsdk@0.8.0 ^mfem+ginkgo", when="@0.4.0 ^xsdk+ginkgo")
depends_on("xsdk@0.8.0 ^mfem+hiop", when="@0.4.0 ^xsdk+hiop")
depends_on("xsdk@0.8.0 ^sundials+magma", when="@0.4.0 +cuda")
depends_on("xsdk@0.7.0", when="@0.3.0")
depends_on("xsdk@0.7.0 ^mfem+strumpack", when="@0.3.0 ^xsdk+strumpack")
depends_on("xsdk@0.7.0 ^sundials+magma", when="@0.3.0 +cuda")
@ -39,53 +55,52 @@ class XsdkExamples(CMakePackage, CudaPackage):
def cmake_args(self):
spec = self.spec
def enabled(pkg):
if type(pkg) is not list:
return "ON" if "^" + pkg in spec else "OFF"
else:
return "ON" if all([("^" + p in spec) for p in pkg]) else "OFF"
# Note: paths to the enabled packages are automatically added by Spack
# to the variable CMAKE_PREFIX_PATH.
args = [
"-DCMAKE_C_COMPILER=%s" % spec["mpi"].mpicc,
"-DCMAKE_CXX_COMPILER=%s" % spec["mpi"].mpicxx,
# Using the MPI wrappers for C and C++ may cause linking issues
# when CUDA is enabled.
# "-DCMAKE_C_COMPILER=%s" % spec["mpi"].mpicc,
# "-DCMAKE_CXX_COMPILER=%s" % spec["mpi"].mpicxx,
# Use the Fortran MPI wrapper as a workaround for a linking issue
# with some versions of apple-clang on Mac.
"-DCMAKE_Fortran_COMPILER=%s" % spec["mpi"].mpifc,
"-DENABLE_AMREX=" + enabled("amrex"),
"-DENABLE_DEAL_II=" + enabled("dealii"),
"-DENABLE_GINKGO=" + enabled("ginkgo"),
"-DENABLE_HEFFTE=" + enabled("heffte"),
"-DENABLE_HIOP=" + enabled("hiop"),
"-DENABLE_HYPRE=ON",
"-DHYPRE_DIR=%s" % spec["hypre"].prefix,
"-DENABLE_MAGMA=" + enabled("magma"),
"-DENABLE_MFEM=ON",
"-DMETIS_DIR=%s" % spec["metis"].prefix,
"-DMFEM_DIR=%s" % spec["mfem"].prefix,
"-DENABLE_PETSC=ON",
"-DPETSc_DIR=%s" % spec["petsc"].prefix,
"-DENABLE_PLASMA=ON",
"-DPLASMA_DIR=%s" % spec["plasma"].prefix,
# ENABLE_PLASMA also needs Slate:
"-DENABLE_PLASMA=" + enabled(["plasma", "slate"]),
"-DENABLE_PRECICE=" + enabled("precice"),
"-DENABLE_PUMI=ON",
"-DENABLE_STRUMPACK=" + enabled("strumpack"),
"-DENABLE_SUNDIALS=ON",
"-DSUNDIALS_DIR=%s" % spec["sundials"].prefix,
"-DENABLE_SUPERLU=ON",
"-DSUPERLUDIST_DIR=%s" % spec["superlu-dist"].prefix,
"-DENABLE_TASMANIAN=" + enabled("tasmanian"),
"-DENABLE_TRILINOS=" + enabled("trilinos"),
]
if "+cuda" in spec: # if cuda variant was activated for xsdk
args.extend(
[
"-DENABLE_CUDA=ON",
"-DCMAKE_CUDA_ARCHITECTURES=%s" % spec.variants["cuda_arch"].value,
]
)
if "+ginkgo" in spec: # if ginkgo variant was activated for xsdk
args.extend(["-DENABLE_GINKGO=ON", "-DGinkgo_DIR=%s" % spec["ginkgo"].prefix])
if "+magma" in spec: # if magma variant was activated for xsdk
args.extend(["-DENABLE_MAGMA=ON", "-DMAGMA_DIR=%s" % spec["magma"].prefix])
if "+strumpack" in spec: # if magma variant was activated for xsdk
args.extend(["-DENABLE_STRUMPACK=ON", "-DSTRUMPACK_DIR=%s" % spec["strumpack"].prefix])
if "+slate" in spec: # if slate variant was activated for xsdk
args.extend(
[
"-DENABLE_SLATE=ON",
"-DSLATE_DIR=%s" % spec["slate"].prefix,
"-DBLASPP_DIR=%s" % spec["blaspp"].prefix,
"-DLAPACKPP_DIR=%s" % spec["lapackpp"].prefix,
]
)
if "trilinos" in spec: # if trilinos variant was activated for xsdk
args.extend(["ENABLE_TRILINOS=ON", "-DTRILINOS_DIR_PATH=%s" % spec["trilinos"].prefix])
if "zlib" in spec: # if zlib variant was activated for MFEM
args.append("-DZLIB_LIBRARY_DIR=%s" % spec["zlib"].prefix.lib)
if "+cuda" in spec:
archs = ";".join(spec.variants["cuda_arch"].value)
args.extend(["-DENABLE_CUDA=ON", "-DCMAKE_CUDA_ARCHITECTURES=%s" % archs])
if "+rocm" in spec:
archs = ";".join(spec.variants["amdgpu_target"].value)
args.extend(["-DENABLE_HIP=ON", "-DCMAKE_HIP_ARCHITECTURES=%s" % archs])
return args
def check(self):
with working_dir(self.build_directory):
ctest(parallel=False)
with working_dir(self.builder.build_directory):
ctest("--output-on-failure")

6
var/spack/repos/builtin/packages/xsdk/package.py
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@ -89,7 +89,7 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
version("0.7.0")
version("0.6.0", deprecated=True)
variant("trilinos", default=True, description="Enable trilinos package build")
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")
variant("strumpack", default=True, description="Enable strumpack package build")
@ -205,12 +205,12 @@ class Xsdk(BundlePackage, CudaPackage, ROCmPackage):
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"
"dealii@master~assimp~python~doc~gmsh+petsc+slepc+mpi~int64"
+ "~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"
"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",
)