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Long overdue update for WarpX: in 2024, we updated our Python bindings to rely on the new pyAMReX package. This deprecates the old `py-warpx` package and adds a new dependency and variant to WarpX. Also deprecates old versions that we will not continue to support.
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| Original file line number | Diff line number | Diff line change |
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@@ -3,27 +3,36 @@ | |
| # | ||
| # SPDX-License-Identifier: (Apache-2.0 OR MIT) | ||
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| from spack.build_systems.python import PythonPipBuilder | ||
| from spack.package import * | ||
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| class PyAmrex(PythonPackage, CudaPackage, ROCmPackage): | ||
| class PyAmrex(CMakePackage, PythonExtension, CudaPackage, ROCmPackage): | ||
| """AMReX Python Bindings with pybind11""" | ||
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| homepage = "https://amrex-codes.github.io/amrex/" | ||
| url = "https://github.com/AMReX-Codes/pyamrex/archive/refs/tags/24.04.tar.gz" | ||
| url = "https://github.com/AMReX-Codes/pyamrex/archive/refs/tags/24.08.tar.gz" | ||
| git = "https://github.com/AMReX-Codes/pyamrex.git" | ||
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| maintainers("ax3l", "RTSandberg", "sayerhs", "WeiqunZhang") | ||
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| license("BSD-3-Clause-LBNL") | ||
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| version("develop", branch="development") | ||
| version("24.04", sha256="ab85695bb9644b702d0fc84e77205d264d27ba94999cab912c8a3212a7eb77fc") | ||
| version("24.03", sha256="bf85b4ad35b623278cbaae2c07e22138545dec0732d15c4ab7c53be76a7f2315") | ||
| version("24.08", sha256="e7179d88261f64744f392a2194ff2744fe323fe0e21d0742ba60458709a1b47e") | ||
| version( | ||
| "24.04", | ||
| sha256="ab85695bb9644b702d0fc84e77205d264d27ba94999cab912c8a3212a7eb77fc", | ||
| deprecated=True, | ||
| ) | ||
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| depends_on("cxx", type="build") # generated | ||
| version( | ||
| "24.03", | ||
| sha256="bf85b4ad35b623278cbaae2c07e22138545dec0732d15c4ab7c53be76a7f2315", | ||
| deprecated=True, | ||
| ) | ||
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| for v in ["24.04", "24.03"]: | ||
| for v in ["24.08", "24.04", "24.03"]: | ||
| depends_on("amrex@{0}".format(v), when="@{0}".format(v), type=("build", "link")) | ||
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| variant( | ||
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@@ -33,6 +42,9 @@ class PyAmrex(PythonPackage, CudaPackage, ROCmPackage): | |
| multi=True, | ||
| description="Dimensionality", | ||
| ) | ||
| # Spack defaults to False but pybind11 defaults to True (and IPO is highly | ||
| # encouraged to be used with pybind11 projects) | ||
| variant("ipo", default=True, description="CMake interprocedural optimization") | ||
| variant("mpi", default=True, description="Build with MPI support") | ||
| variant("openmp", default=False, description="Build with OpenMP support") | ||
| variant( | ||
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@@ -42,14 +54,21 @@ class PyAmrex(PythonPackage, CudaPackage, ROCmPackage): | |
| values=("single", "double"), | ||
| ) | ||
| variant("tiny_profile", default=False, description="Enable tiny profiling") | ||
| variant("sycl", default=False, description="Enable SYCL backend") | ||
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| extends("python") | ||
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| depends_on("cxx", type="build") | ||
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| depends_on("[email protected]:", type="build") | ||
| depends_on("[email protected]:", type=("build", "run")) | ||
| depends_on("[email protected]:1", type=("build", "run")) | ||
| depends_on("[email protected]:", type=("build", "run"), when="+mpi") | ||
| depends_on("[email protected]:1", type=("build", "run")) | ||
| depends_on("py-packaging@23:", type="build") | ||
| depends_on("py-pip@23:", type="build") | ||
| depends_on("py-setuptools@42:", type="build") | ||
| depends_on("[email protected]:3", type="build") | ||
| depends_on("py-[email protected]:", type="link") | ||
| depends_on("[email protected]:", type=("build", "link")) | ||
| depends_on("py-[email protected]:", type="build") | ||
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| # AMReX options | ||
| # required variants | ||
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@@ -63,53 +82,65 @@ class PyAmrex(PythonPackage, CudaPackage, ROCmPackage): | |
| depends_on("amrex dimensions=3") | ||
| with when("+mpi"): | ||
| depends_on("amrex +mpi") | ||
| with when("~mpi"): | ||
| depends_on("amrex ~mpi") | ||
| with when("+openmp"): | ||
| depends_on("amrex +openmp") | ||
| with when("~openmp"): | ||
| depends_on("amrex ~openmp") | ||
| with when("+tiny_profile"): | ||
| depends_on("amrex +tiny_profile") | ||
| with when("+cuda"): | ||
| depends_on("amrex +cuda") | ||
| # todo: how to forward cuda_arch? | ||
| with when("~cuda"): | ||
| depends_on("amrex ~cuda") | ||
| with when("+rocm"): | ||
| depends_on("amrex +rocm") | ||
| # todo: how to forward amdgpu_target? | ||
| with when("~rocm"): | ||
| depends_on("amrex ~rocm") | ||
| with when("+sycl"): | ||
| depends_on("amrex +sycl") | ||
| with when("~sycl"): | ||
| depends_on("amrex ~sycl") | ||
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| depends_on("py-pytest", type="test") | ||
| depends_on("py-pandas", type="test") | ||
| depends_on("py-cupy", type="test", when="+cuda") | ||
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| phases = ("cmake", "build", "install", "pip_install_nodeps") | ||
| build_targets = ["all", "pip_wheel"] | ||
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| tests_src_dir = "tests/" | ||
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| def setup_build_environment(self, env): | ||
| spec = self.spec | ||
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| # disable superbuilds: use external dependencies | ||
| env.set("AMREX_INTERNAL", "OFF") | ||
| env.set("PYAMREX_CCACHE", "OFF") | ||
| env.set("PYAMREX_IPO", "ON") | ||
| env.set("PYBIND11_INTERNAL", "OFF") | ||
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| # configure to require the exact AMReX configs provided by Spack | ||
| env.set("AMREX_SPACEDIM", ";".join(spec.variants["dimensions"].value)) | ||
| env.set("AMREX_MPI", "ON" if spec.satisfies("+mpi") else "OFF") | ||
| env.set("AMREX_OMP", "ON" if spec.satisfies("+omp") else "OFF") | ||
| env.set("AMREX_PRECISION", spec.variants["precision"].value.upper()) | ||
| with when("+cuda"): | ||
| env.set("AMREX_GPU_BACKEND", "CUDA") | ||
| with when("+rocm"): | ||
| env.set("AMREX_GPU_BACKEND", "HIP") | ||
| # with when("+sycl"): | ||
| # env.set("AMREX_GPU_BACKEND", "SYCL") | ||
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| # control build parallelism | ||
| env.set("CMAKE_BUILD_PARALLEL_LEVEL", make_jobs) | ||
| def cmake_args(self): | ||
| args = ["-DpyAMReX_amrex_internal=OFF", "-DpyAMReX_pybind11_internal=OFF"] | ||
| return args | ||
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| def pip_install_nodeps(self, spec, prefix): | ||
| """Install everything from build directory.""" | ||
| pip = spec["python"].command | ||
| pip.add_default_arg("-m", "pip") | ||
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| args = PythonPipBuilder.std_args(self) + [ | ||
| f"--prefix={prefix}", | ||
| "--find-links=amrex-whl", | ||
| "amrex", | ||
| ] | ||
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| with working_dir(self.build_directory): | ||
| pip(*args) | ||
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| # todo: from PythonPipBuilder | ||
| # ....execute_install_time_tests() | ||
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| def check(self): | ||
| """Checks after the build phase""" | ||
| pytest = which("pytest") | ||
| pytest(join_path(self.stage.source_path, self.tests_src_dir)) | ||
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| @run_after("install") | ||
| @run_after("pip_install_nodeps") | ||
| def copy_test_sources(self): | ||
| """Copy the example test files after the package is installed to an | ||
| install test subdirectory for use during `spack test run`.""" | ||
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@@ -11,25 +11,47 @@ class PyPicmistandard(PythonPackage): | |
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| homepage = "https://picmi-standard.github.io" | ||
| git = "https://github.com/picmi-standard/picmi.git" | ||
| pypi = "picmistandard/picmistandard-0.26.0.tar.gz" | ||
| pypi = "picmistandard/picmistandard-0.29.0.tar.gz" | ||
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| maintainers("ax3l", "dpgrote", "RemiLehe") | ||
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| version("master", branch="master") | ||
| version("0.29.0", sha256="dc0bf3ddd3635df9935ac569b3085de387150c4f8e9851897078bb12d123dde8") | ||
| version("0.28.0", sha256="aa980b0fb49fc3ff9c7e32b5927b3700c4660aefbf96567bac1f8c9c93bb7831") | ||
| version("0.26.0", sha256="b22689f576d064bf0cd8f435621e912359fc2ee9347350eab845d2d36ebb62eb") | ||
| version("0.25.0", sha256="3fe6a524822d382e52bfc9d3378249546075d28620969954c5ffb43e7968fb02") | ||
| version("0.24.0", sha256="55a82adcc14b41eb612caf0d9e47b0e2a56ffc196a58b41fa0cc395c6924be9a") | ||
| version("0.23.2", sha256="2853fcfaf2f226a88bb6063ae564832b7e69965294fd652cd2ac04756fa4599a") | ||
| version("0.23.1", sha256="c7375010b7a3431b519bc0accf097f2aafdb520e2a0126f42895cb96dcc7dcf1") | ||
| version("0.0.22", sha256="e234a431274254b22cd70be64d6555b383d98426b2763ea0c174cf77bf4d0890") | ||
| version("0.0.21", sha256="930056a23ed92dac7930198f115b6248606b57403bffebce3d84579657c8d10b") | ||
| version("0.0.20", sha256="9c1822eaa2e4dd543b5afcfa97940516267dda3890695a6cf9c29565a41e2905") | ||
| version("0.0.19", sha256="4b7ba1330964fbfd515e8ea2219966957c1386e0896b92d36bd9e134afb02f5a") | ||
| version("0.0.18", sha256="68c208c0c54b4786e133bb13eef0dd4824998da4906285987ddee84e6d195e71") | ||
| version( | ||
| "0.0.22", | ||
| sha256="e234a431274254b22cd70be64d6555b383d98426b2763ea0c174cf77bf4d0890", | ||
| deprecated=True, | ||
| ) | ||
| version( | ||
| "0.0.21", | ||
| sha256="930056a23ed92dac7930198f115b6248606b57403bffebce3d84579657c8d10b", | ||
| deprecated=True, | ||
| ) | ||
| version( | ||
| "0.0.20", | ||
| sha256="9c1822eaa2e4dd543b5afcfa97940516267dda3890695a6cf9c29565a41e2905", | ||
| deprecated=True, | ||
| ) | ||
| version( | ||
| "0.0.19", | ||
| sha256="4b7ba1330964fbfd515e8ea2219966957c1386e0896b92d36bd9e134afb02f5a", | ||
| deprecated=True, | ||
| ) | ||
| version( | ||
| "0.0.18", | ||
| sha256="68c208c0c54b4786e133bb13eef0dd4824998da4906285987ddee84e6d195e71", | ||
| deprecated=True, | ||
| ) | ||
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| depends_on("[email protected]:", type=("build", "run")) | ||
| depends_on("[email protected]:1", type=("build", "run")) | ||
| depends_on("[email protected]:1", type=("build", "run")) | ||
| depends_on("[email protected]:", type=("build", "run")) | ||
| depends_on("[email protected]:", type=("build", "run")) | ||
| depends_on("py-setuptools", type="build") | ||
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| @property | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -61,6 +61,10 @@ class PyPybind11(CMakePackage, PythonExtension): | |
| depends_on("py-wheel", type="build") | ||
| extends("python") | ||
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| # Spack defaults to False but pybind11 defaults to True (and IPO is highly | ||
| # encouraged to be used) | ||
| variant("ipo", default=True, description="CMake interprocedural optimization") | ||
|
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| with when("build_system=cmake"): | ||
| generator("ninja") | ||
| depends_on("[email protected]:", type="build") | ||
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