274 lines
12 KiB
Python
274 lines
12 KiB
Python
# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level 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 Warpx(CMakePackage):
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"""WarpX is an advanced electromagnetic Particle-In-Cell code. It supports
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many features including Perfectly-Matched Layers (PML) and mesh refinement.
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In addition, WarpX is a highly-parallel and highly-optimized code and
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features hybrid OpenMP/MPI parallelization, advanced vectorization
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techniques and load balancing capabilities.
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For WarpX' Python bindings and PICMI input support, see the 'py-warpx' package.
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"""
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homepage = "https://ecp-warpx.github.io"
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url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/22.05.tar.gz"
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git = "https://github.com/ECP-WarpX/WarpX.git"
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maintainers = ["ax3l", "dpgrote", "MaxThevenet", "RemiLehe"]
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tags = ["e4s", "ecp"]
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# NOTE: if you update the versions here, also see py-warpx
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version("develop", branch="development")
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version("22.08", sha256="5ff7fd628e8bf615c1107e6c51bc55926f3ef2a076985444b889d292fecf56d4")
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version("22.07", sha256="0286adc788136cb78033cb1678d38d36e42265bcfd3d0c361a9bcc2cfcdf241b")
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version("22.06", sha256="e78398e215d3fc6bc5984f5d1c2ddeac290dcbc8a8e9d196e828ef6299187db9")
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version("22.05", sha256="2fa69e6a4db36459b67bf663e8fbf56191f6c8c25dc76301dbd02a36f9b50479")
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version("22.04", sha256="9234d12e28b323cb250d3d2cefee0b36246bd8a1d1eb48e386f41977251c028f")
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version("22.03", sha256="ddbef760c8000f2f827dfb097ca3359e7aecbea8766bec5c3a91ee28d3641564")
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version("22.02", sha256="d74b593d6f396e037970c5fbe10c2e5d71d557a99c97d40e4255226bc6c26e42")
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version("22.01", sha256="e465ffadabb7dc360c63c4d3862dc08082b5b0e77923d3fb05570408748b0d28")
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# 22.01+ requires C++17 or newer
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version("21.12", sha256="847c98aac20c73d94c823378803c82be9a14139f1c14ea483757229b452ce4c1")
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version("21.11", sha256="ce60377771c732033a77351cd3500b24b5d14b54a5adc7a622767b9251c10d0b")
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version("21.10", sha256="d372c573f0360094d5982d64eceeb0149d6620eb75e8fdbfdc6777f3328fb454")
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version("21.09", sha256="861a65f11846541c803564db133c8678b9e8779e69902ef1637b21399d257eab")
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version("21.08", sha256="6128a32cfd075bc63d08eebea6d4f62d33ce0570f4fd72330a71023ceacccc86")
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version("21.07", sha256="a8740316d813c365715f7471201499905798b50bd94950d33f1bd91478d49561")
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version("21.06", sha256="a26039dc4061da45e779dd5002467c67a533fc08d30841e01e7abb3a890fbe30")
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version("21.05", sha256="f835f0ae6c5702550d23191aa0bb0722f981abb1460410e3d8952bc3d945a9fc")
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version("21.04", sha256="51d2d8b4542eada96216e8b128c0545c4b7527addc2038efebe586c32c4020a0")
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# 20.01+ requires C++14 or newer
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variant("app", default=True, description="Build the WarpX executable application")
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variant("ascent", default=False, description="Enable Ascent in situ visualization")
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variant("sensei", default=False, description="Enable SENSEI in situ visualization")
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variant(
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"compute",
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default="omp",
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values=("omp", "cuda", "hip", "sycl", "noacc"),
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multi=False,
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description="On-node, accelerated computing backend",
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)
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variant(
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"dims",
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default="3",
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values=("1", "2", "3", "rz"),
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multi=False,
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description="Number of spatial dimensions",
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)
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variant("eb", default=False, description="Embedded boundary support (in development)")
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variant("lib", default=True, description="Build WarpX as a shared library")
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variant("mpi", default=True, description="Enable MPI support")
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variant(
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"mpithreadmultiple",
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default=True,
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description="MPI thread-multiple support, i.e. for async_io",
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)
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variant("openpmd", default=True, description="Enable openPMD I/O")
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variant(
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"precision",
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default="double",
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values=("single", "double"),
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multi=False,
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description="Floating point precision (single/double)",
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)
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variant("psatd", default=True, description="Enable PSATD solver support")
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variant("qed", default=True, description="Enable QED support")
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variant("qedtablegen", default=False, description="QED table generation support")
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variant("shared", default=True, description="Build a shared version of the library")
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variant("tprof", default=True, description="Enable tiny profiling features")
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depends_on("sensei@4.0.0:", when="@22.07: +sensei")
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conflicts("+sensei", when="@:22.06", msg="WarpX supports SENSEI 4.0+ with 22.07 and newer")
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depends_on("ascent", when="+ascent")
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depends_on("ascent +cuda", when="+ascent compute=cuda")
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depends_on("ascent +mpi", when="+ascent +mpi")
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depends_on("boost@1.66.0: +math", when="+qedtablegen")
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depends_on("cmake@3.15.0:", type="build")
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depends_on("cmake@3.18.0:", type="build", when="@22.01:")
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depends_on("cmake@3.20.0:", type="build", when="@22.08:")
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depends_on("mpi", when="+mpi")
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with when("compute=cuda"):
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depends_on("cuda@9.2.88:")
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depends_on("cuda@11.0:", when="@22.01:")
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with when("compute=hip"):
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depends_on("rocfft", when="+psatd")
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depends_on("rocprim")
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depends_on("rocrand")
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with when("compute=noacc"):
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with when("+psatd"):
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depends_on("fftw@3: ~mpi", when="~mpi")
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depends_on("fftw@3: +mpi", when="+mpi")
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depends_on("pkgconfig", type="build")
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with when("compute=omp"):
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depends_on("llvm-openmp", when="%apple-clang")
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with when("+psatd"):
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depends_on("fftw@3: +openmp")
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depends_on("fftw ~mpi", when="~mpi")
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depends_on("fftw +mpi", when="+mpi")
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depends_on("pkgconfig", type="build")
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with when("+psatd dims=rz"):
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depends_on("lapackpp")
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depends_on("blaspp")
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depends_on("blaspp +cuda", when="compute=cuda")
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with when("+openpmd"):
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depends_on("openpmd-api@0.13.1:")
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depends_on("openpmd-api@0.14.2:", when="@21.09:")
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depends_on("openpmd-api ~mpi", when="~mpi")
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depends_on("openpmd-api +mpi", when="+mpi")
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conflicts("dims=1", when="@:21.12", msg="WarpX 1D support starts in 22.01+")
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conflicts("~qed +qedtablegen", msg="WarpX PICSAR QED table generation needs +qed")
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conflicts(
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"compute=sycl",
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when="+psatd",
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msg="WarpX spectral solvers are not yet tested with SYCL " '(use "warpx ~psatd")',
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)
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# The symbolic aliases for our +lib target were missing in the install
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# location
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# https://github.com/ECP-WarpX/WarpX/pull/2626
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patch(
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"https://github.com/ECP-WarpX/WarpX/pull/2626.patch?full_index=1",
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sha256="a431d4664049d6dcb6454166d6a948d8069322a111816ca5ce01553800607544",
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when="@21.12",
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)
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# Workaround for AMReX<=22.06 no-MPI Gather
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# https://github.com/ECP-WarpX/WarpX/pull/3134
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# https://github.com/AMReX-Codes/amrex/pull/2793
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patch(
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"https://github.com/ECP-WarpX/WarpX/pull/3134.patch?full_index=1",
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sha256="b786ce64a3c2c2b96ff2e635f0ee48532e4ae7ad9637dbf03f11c0768c290690",
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when="@22.02:22.05",
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)
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# Forgot to install ABLASTR library
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# https://github.com/ECP-WarpX/WarpX/pull/3141
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patch(
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"https://github.com/ECP-WarpX/WarpX/pull/3141.patch?full_index=1",
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sha256="dab6fb44556ee1fd466a4cb0e20f89bde1ce445c9a51a2c0f59d1740863b5e7d",
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when="@22.04,22.05",
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)
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# Fix failing 1D CUDA build
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# https://github.com/ECP-WarpX/WarpX/pull/3162
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patch(
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"https://github.com/ECP-WarpX/WarpX/pull/3162.patch?full_index=1",
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sha256="0ae573d1390ed8063f84e3402d30d34e522e65dc5dfeea3d07e165127ab373e9",
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when="@22.06",
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)
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def cmake_args(self):
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spec = self.spec
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args = [
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self.define_from_variant("BUILD_SHARED_LIBS", "shared"),
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"-DCMAKE_INSTALL_LIBDIR=lib",
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# variants
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self.define_from_variant("WarpX_APP", "app"),
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self.define_from_variant("WarpX_ASCENT", "ascent"),
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self.define_from_variant("WarpX_SENSEI", "sensei"),
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"-DWarpX_COMPUTE={0}".format(spec.variants["compute"].value.upper()),
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"-DWarpX_DIMS={0}".format(spec.variants["dims"].value.upper()),
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self.define_from_variant("WarpX_EB", "eb"),
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self.define_from_variant("WarpX_LIB", "lib"),
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self.define_from_variant("WarpX_MPI", "mpi"),
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self.define_from_variant("WarpX_MPI_THREAD_MULTIPLE", "mpithreadmultiple"),
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self.define_from_variant("WarpX_OPENPMD", "openpmd"),
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"-DWarpX_PRECISION={0}".format(spec.variants["precision"].value.upper()),
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self.define_from_variant("WarpX_PSATD", "psatd"),
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self.define_from_variant("WarpX_QED", "qed"),
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self.define_from_variant("WarpX_QED_TABLE_GEN", "qedtablegen"),
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]
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# FindMPI needs an extra hint sometimes, particularly on cray systems
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if "+mpi" in spec:
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args.append(self.define("MPI_C_COMPILER", spec["mpi"].mpicc))
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args.append(self.define("MPI_CXX_COMPILER", spec["mpi"].mpicxx))
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if "+openpmd" in spec:
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args.append("-DWarpX_openpmd_internal=OFF")
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# Work-around for SENSEI 4.0: wrong install location for CMake config
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# https://github.com/SENSEI-insitu/SENSEI/issues/79
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if "+sensei" in spec:
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args.append(self.define("SENSEI_DIR", spec["sensei"].prefix.lib.cmake))
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return args
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@property
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def libs(self):
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libsuffix = {"1": "1d", "2": "2d", "3": "3d", "rz": "rz"}
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dims = self.spec.variants["dims"].value
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libs = find_libraries(
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["libwarpx." + libsuffix[dims]], root=self.prefix, recursive=True, shared=True
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)
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libs += find_libraries(
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["libablastr"], root=self.prefix, recursive=True, shared=self.spec.variants["shared"]
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)
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return libs
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# WarpX has many examples to serve as a suitable smoke check. One
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# that is typical was chosen here
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examples_src_dir = "Examples/Physics_applications/laser_acceleration/"
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def _get_input_options(self, post_install):
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spec = self.spec
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examples_dir = join_path(
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self.install_test_root if post_install else self.stage.source_path,
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self.examples_src_dir,
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)
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dims = spec.variants["dims"].value
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inputs_nD = {"1": "inputs_1d", "2": "inputs_2d", "3": "inputs_3d", "rz": "inputs_rz"}
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if spec.satisfies("@:21.12"):
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inputs_nD["rz"] = "inputs_2d_rz"
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inputs = join_path(examples_dir, inputs_nD[dims])
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cli_args = [inputs, "max_step=50", "diag1.intervals=10"]
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# test openPMD output if compiled in
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if "+openpmd" in spec:
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cli_args.append("diag1.format=openpmd")
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# RZ: New openPMD thetaMode output
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if dims == "rz" and spec.satisfies("@22.04:"):
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cli_args.append("diag1.fields_to_plot=Er Et Ez Br Bt Bz jr jt jz rho")
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return cli_args
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def check(self):
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"""Checks after the build phase"""
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if "+app" not in self.spec:
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print("WarpX check skipped: requires variant +app")
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return
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with working_dir("spack-check", create=True):
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cli_args = self._get_input_options(False)
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warpx = Executable(join_path(self.build_directory, "bin/warpx"))
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warpx(*cli_args)
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@run_after("install")
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def copy_test_sources(self):
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"""Copy the example input files after the package is installed to an
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install test subdirectory for use during `spack test run`."""
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self.cache_extra_test_sources([self.examples_src_dir])
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def test(self):
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"""Perform smoke tests on the installed package."""
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if "+app" not in self.spec:
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print("WarpX smoke tests skipped: requires variant +app")
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return
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# our executable names are a variant-dependent and naming evolves
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exe = find(self.prefix.bin, "warpx.*", recursive=False)[0]
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cli_args = self._get_input_options(True)
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self.run_test(
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exe, cli_args, [], installed=True, purpose="Smoke test for WarpX", skip_missing=False
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)
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