quda: new package (#48939)
* add quda package * [@spackbot] updating style on behalf of chaoos * adjusted header comment * add quda package * [@spackbot] updating style on behalf of chaoos * adjusted header comment * addressing reviewers comments * formatting, adjusted build types, added tags hep and lattice * [@spackbot] updating style on behalf of chaoos * adjusted preferred version * [@spackbot] updating style on behalf of chaoos
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var/spack/repos/builtin/packages/quda/package.py
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var/spack/repos/builtin/packages/quda/package.py
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# Copyright Spack Project Developers. See COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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from spack.package import *
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class Quda(CMakePackage, CudaPackage, ROCmPackage):
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"""QUDA is a library for performing calculations in lattice QCD on GPUs."""
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homepage = "https://lattice.github.io/quda/"
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url = "https://github.com/lattice/quda/archive/refs/tags/v1.1.0.tar.gz"
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git = "https://github.com/lattice/quda.git"
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tags = ["hep", "lattice"]
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maintainers("chaoos")
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license("MIT OR BSD-3-Clause", checked_by="chaoos")
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version("develop", branch="develop")
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# git describe --tags --match 'v*' 18bf43ed40c75ae276e55bb8ddf2f64aa5510c37
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version(
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"1.1.0-4597-g18bf43ed4", preferred=True, commit="18bf43ed40c75ae276e55bb8ddf2f64aa5510c37"
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)
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version("1.1.0", sha256="b4f635c993275010780ea09d8e593e0713a6ca1af1db6cc86c64518714fcc745")
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version(
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"1.0.0",
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deprecated=True,
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sha256="32b883bd4af45b76a832d8a070ab020306c94ff6590410cbe7c3eab3b630b938",
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)
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version(
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"0.9.0",
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deprecated=True,
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sha256="0a9f2e028fb40e4a09f78af51702d2de4099a9bf10fb8ce350eacb2d8327e481",
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)
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version(
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"0.8.0",
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deprecated=True,
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sha256="58d9a94b7fd38ec1f79bea7a0e9b470f0fa517cbf5fce42d5776e1c65607aeda",
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)
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# build dependencies
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generator("ninja")
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depends_on("cmake@3.18:", type="build")
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depends_on("ninja", type="build")
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depends_on("c", type="build")
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depends_on("cxx", type="build")
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depends_on("fortran", type="build", when="+tifr")
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depends_on("fortran", type="build", when="+bqcd")
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variant("mpi", default=False, description="Enable MPI support")
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variant("qmp", default=False, description="Enable QMP")
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variant("qio", default=False, description="Enable QIO")
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variant("openqcd", default=False, description="Enable openQCD interface")
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variant("milc", default=False, description="Enable MILC interface")
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variant("qdp", default=False, description="Enable QDP interface")
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variant("bqcd", default=False, description="Enable BQCD interface")
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variant("cps", default=False, description="Enable CPS interface")
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variant("qdpjit", default=False, description="Enable QDPJIT interface")
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variant("tifr", default=False, description="Enable TIFR interface")
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variant("multigrid", default=False, description="Enable multigrid")
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variant("nvshmem", default=False, description="Enable NVSHMEM", when="+cuda")
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variant("clover", default=False, description="Build clover Dirac operators")
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variant(
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"clover_hasenbusch", default=False, description="Build clover Hasenbusch twist operators"
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)
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variant("domain_wall", default=False, description="Build domain wall Dirac operators")
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variant("laplace", default=False, description="Build laplace operator")
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variant(
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"ndeg_twisted_clover",
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default=False,
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description="Build non-degenerate twisted clover Dirac operators",
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)
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variant(
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"ndeg_twisted_mass",
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default=False,
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description="Build non-degenerate twisted mass Dirac operators",
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)
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variant("staggered", default=False, description="Build staggered Dirac operators")
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variant("twisted_clover", default=False, description="Build twisted clover Dirac operators")
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variant("twisted_mass", default=False, description="Build twisted mass Dirac operators")
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variant("wilson", default=True, description="Build Wilson Dirac operators")
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with when("+multigrid"):
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variant(
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"mg_mrhs_list",
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default=16,
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multi=True,
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description="The list of multi-rhs sizes that get compiled",
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)
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variant(
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"mg_nvec_list",
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default="6,24,32",
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multi=True,
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description="The list of null space vector sizes that get compiled",
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)
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# dependencies
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depends_on("mpi", when="+mpi")
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depends_on("cuda", when="+cuda")
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depends_on("nvshmem", when="+nvshmem")
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depends_on("gdrcopy", when="+nvshmem")
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with when("+rocm"):
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depends_on("hip")
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depends_on("hipblas")
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depends_on("hipfft")
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depends_on("hiprand")
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depends_on("hipcub")
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conflicts("+qmp +mpi", msg="Specifying both QMP and MPI might result in undefined behavior")
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conflicts("+cuda +rocm", msg="CUDA and ROCm support are mutually exclusive")
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conflicts("~cuda ~rocm", msg="Either CUDA or ROCm support is required")
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conflicts("cuda_arch=none", when="+cuda", msg="Please indicate a cuda_arch value")
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conflicts(
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"+nvshmem", when="~mpi ~qmp", msg="NVSHMEM requires either +mpi or +qmp to be enabled"
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)
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# CMAKE_BUILD_TYPE
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variant(
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"build_type",
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default="STRICT",
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description="The build type to build",
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values=("STRICT", "RELEASE", "DEVEL", "DEBUG", "HOSTDEBUG", "SANITIZE"),
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)
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def cmake_args(self):
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if self.spec.satisfies("+cuda"):
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target = "CUDA"
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cuda_archs = self.spec.variants["cuda_arch"].value
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arch = " ".join(f"sm_{i}" for i in cuda_archs)
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elif self.spec.satisfies("+rocm"):
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target = "HIP"
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arch = self.spec.variants["amdgpu_target"].value
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args = [
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self.define("QUDA_BUILD_ALL_TESTS", False),
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self.define("QUDA_TARGET_TYPE", target),
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self.define("QUDA_GPU_ARCH", arch),
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self.define("QUDA_PRECISION", 14),
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self.define("QUDA_RECONSTRUCT", 7),
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self.define("QUDA_DOWNLOAD_USQCD", False),
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self.define("QUDA_DIRAC_DEFAULT_OFF", True),
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self.define_from_variant("QUDA_DIRAC_CLOVER", "clover"),
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self.define_from_variant("QUDA_DIRAC_CLOVER_HASENBUSCH", "clover_hasenbusch"),
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self.define_from_variant("QUDA_DIRAC_DOMAIN_WALL", "domain_wall"),
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self.define_from_variant("QUDA_DIRAC_LAPLACE", "laplace"),
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self.define_from_variant("QUDA_DIRAC_NDEG_TWISTED_CLOVER", "ndeg_twisted_clover"),
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self.define_from_variant("QUDA_DIRAC_NDEG_TWISTED_MASS", "ndeg_twisted_mass"),
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self.define_from_variant("QUDA_DIRAC_STAGGERED", "staggered"),
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self.define_from_variant("QUDA_DIRAC_TWISTED_CLOVER", "twisted_clover"),
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self.define_from_variant("QUDA_DIRAC_TWISTED_MASS", "twisted_mass"),
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self.define_from_variant("QUDA_DIRAC_WILSON", "wilson"),
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self.define_from_variant("QUDA_MPI", "mpi"),
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self.define_from_variant("QUDA_QMP", "qmp"),
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self.define_from_variant("QUDA_QIO", "qio"),
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self.define_from_variant("QUDA_INTERFACE_OPENQCD", "openqcd"),
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self.define_from_variant("QUDA_INTERFACE_MILC", "milc"),
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self.define_from_variant("QUDA_INTERFACE_QDP", "qdp"),
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self.define_from_variant("QUDA_INTERFACE_BQCD", "bqcd"),
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self.define_from_variant("QUDA_INTERFACE_CPS", "cps"),
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self.define_from_variant("QUDA_INTERFACE_QDPJIT", "qdpjit"),
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self.define_from_variant("QUDA_INTERFACE_TIFR", "tifr"),
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self.define_from_variant("QUDA_MULTIGRID", "multigrid"),
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self.define_from_variant("QUDA_NVSHMEM", "nvshmem"),
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]
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if self.spec.satisfies("+multigrid"):
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args.append(
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self.define(
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"QUDA_MULTIGRID_NVEC_LIST", ",".join(self.spec.variants["mg_nvec_list"].value)
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)
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)
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args.append(
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self.define(
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"QUDA_MULTIGRID_MRHS_LIST", ",".join(self.spec.variants["mg_mrhs_list"].value)
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)
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)
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if self.spec.satisfies("+nvshmem"):
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args.append(self.define("QUDA_NVSHMEM_HOME", self.spec["nvshmem"].prefix))
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args.append(self.define("QUDA_GDRCOPY_HOME", self.spec["gdrcopy"].prefix))
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if self.spec.satisfies("+cuda"):
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args.append(self.define("QUDA_GPU_ARCH_SUFFIX", "real")) # real or virtual
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elif self.spec.satisfies("+rocm"):
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args.append(self.define("CMAKE_C_COMPILER", self.spec["hip"].hipcc))
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args.append(self.define("CMAKE_CXX_COMPILER", self.spec["hip"].hipcc))
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# args.append(self.define("ROCM_PATH", self.spec["hip"].prefix))
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# required when building on a machine with no AMD GPU present
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args.append(self.define("AMDGPU_TARGETS", arch))
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# suppress _GLIBCXX17_DEPRECATED warnings when compiling c++17
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args.append(self.define("CMAKE_CXX_FLAGS", "-Wno-deprecated-declarations"))
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return args
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