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dbcsr: add v2.7.0 and +g2g variant (#45501)

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Co-authored-by: RMeli <RMeli@users.noreply.github.com>
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Rocco Meli 2024-08-06 08:40:09 +02:00 committed by GitHub
parent fa38dd9386
commit 5650d4d419
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1 changed files with 13 additions and 2 deletions
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15
var/spack/repos/builtin/packages/dbcsr/package.py
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@ -19,6 +19,7 @@ class Dbcsr(CMakePackage, CudaPackage, ROCmPackage):
license("GPL-2.0-or-later") license("GPL-2.0-or-later")
version("develop", branch="develop") version("develop", branch="develop")
version("2.7.0", sha256="25c367b49fb108c5230bcfb127f05fc16deff2bb467f437023dfa6045aff66f6")
version("2.6.0", sha256="c67b02ff9abc7c1f529af446a9f01f3ef9e5b0574f220259128da8d5ca7e9dc6") version("2.6.0", sha256="c67b02ff9abc7c1f529af446a9f01f3ef9e5b0574f220259128da8d5ca7e9dc6")
version("2.5.0", sha256="91fda9b2502e5d0a2a6cdd5a73ef096253cc7e75bd01ba5189a4726ad86aef08") version("2.5.0", sha256="91fda9b2502e5d0a2a6cdd5a73ef096253cc7e75bd01ba5189a4726ad86aef08")
version("2.4.1", sha256="b3d5ae62ca582b72707a2c932e8074a4f2f61d61085d97bd374213c70b8dbdcf") version("2.4.1", sha256="b3d5ae62ca582b72707a2c932e8074a4f2f61d61085d97bd374213c70b8dbdcf")
@ -55,6 +56,9 @@ class Dbcsr(CMakePackage, CudaPackage, ROCmPackage):
variant("opencl", default=False, description="Enable OpenCL backend") variant("opencl", default=False, description="Enable OpenCL backend")
variant("mpi_f08", default=False, when="@2.6:", description="Use mpi F08 module") variant("mpi_f08", default=False, when="@2.6:", description="Use mpi F08 module")
variant("g2g", default=False, description="GPU-aware MPI with CUDA/HIP")
conflicts("+g2g", when="~cuda ~rocm", msg="GPU-aware MPI requires +cuda or +rocm")
depends_on("blas") depends_on("blas")
depends_on("lapack") depends_on("lapack")
depends_on("mpi", when="+mpi") depends_on("mpi", when="+mpi")
@ -84,7 +88,7 @@ class Dbcsr(CMakePackage, CudaPackage, ROCmPackage):
# for optimal kernels. Note that we don't override the parent class arch # for optimal kernels. Note that we don't override the parent class arch
# properties, since the parent class defines constraints for different archs # properties, since the parent class defines constraints for different archs
# Instead just mark all unsupported cuda archs as conflicting. # Instead just mark all unsupported cuda archs as conflicting.
dbcsr_cuda_archs = ("35", "37", "60", "70", "80") dbcsr_cuda_archs = ("35", "37", "60", "70", "80", "90")
cuda_msg = "dbcsr only supports cuda_arch {0}".format(dbcsr_cuda_archs) cuda_msg = "dbcsr only supports cuda_arch {0}".format(dbcsr_cuda_archs)
for arch in CudaPackage.cuda_arch_values: for arch in CudaPackage.cuda_arch_values:
@ -152,7 +156,14 @@ def cmake_args(self):
if self.spec.satisfies("+cuda"): if self.spec.satisfies("+cuda"):
cuda_arch = self.spec.variants["cuda_arch"].value[0] cuda_arch = self.spec.variants["cuda_arch"].value[0]
gpu_map = {"35": "K40", "37": "K80", "60": "P100", "70": "V100", "80": "A100"} gpu_map = {
"35": "K40",
"37": "K80",
"60": "P100",
"70": "V100",
"80": "A100",
"90": "H100",
}
gpuver = gpu_map[cuda_arch] gpuver = gpu_map[cuda_arch]
if cuda_arch == "35" and self.spec.satisfies("+cuda_arch_35_k20x"): if cuda_arch == "35" and self.spec.satisfies("+cuda_arch_35_k20x"):