Add: pyAMReX (#31915)

* Add: pyAMReX

Add the new pybind11 project `pyAMReX` as `py-amrex` package.

* Fix PEP8 Style

var/spack/repos/builtin/packages/py-amrex/package.py

@@ -0,0 +1,85 @@
+# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack.package import *
+
+
+class PyAmrex(PythonPackage, CudaPackage, ROCmPackage):
+    """AMReX Python Bindings with pybind11"""
+
+    homepage = "https://amrex-codes.github.io/amrex/"
+    git = "https://github.com/AMReX-Codes/pyamrex.git"
+
+    maintainers = ["ax3l", "RTSandberg", "sayerhs", "WeiqunZhang"]
+
+    version("develop", branch="development")
+
+    variant("dimensions", default="3", description="Dimensionality", values=("1", "2", "3"))
+    variant("mpi", default=True, description="Build with MPI support")
+    variant("openmp", default=False, description="Build with OpenMP support")
+    variant(
+        "precision",
+        default="double",
+        description="Real precision (double/single)",
+        values=("single", "double"),
+    )
+    variant("tiny_profile", default=False, description="Enable tiny profiling")
+
+    depends_on("python@3.7:", type=("build", "run"))
+    depends_on("py-numpy@1.15.0:1", type=("build", "run"))
+    depends_on("py-mpi4py@2.1.0:", type=("build", "run"), when="+mpi")
+    depends_on("py-setuptools@42:", type="build")
+    # We just need a CMake binary, and py-cmake is notoriously hard to build on
+    # exotic architectures. So ignore the pyproject.toml declaration and use
+    # Spack's cmake package.
+    # depends_on('py-cmake@3.20:3', type='build')
+    depends_on("cmake@3.20:3", type="build")
+    depends_on("py-pybind11@2.9.1:", type="link")
+
+    # AMReX options
+    depends_on("amrex@22.08:", type=("build", "link"))
+    #   required variants
+    depends_on("amrex +pic +particles")
+    #   controllable variants
+    with when("dimensions=1"):
+        depends_on("amrex dimensions=1")
+    with when("dimensions=2"):
+        depends_on("amrex dimensions=2")
+    with when("dimensions=3"):
+        depends_on("amrex dimensions=3")
+    with when("+mpi"):
+        depends_on("amrex +mpi")
+    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("+rocm"):
+        depends_on("amrex +rocm")
+        # todo: how to forward amdgpu_target?
+
+    def setup_build_environment(self, env):
+        spec = self.spec
+
+        # disable superbuilds: use external dependencies
+        env.set("AMREX_INTERNAL", "OFF")
+        env.set("PYBIND11_INTERNAL", "OFF")
+
+        # configure to require the exact AMReX configs provided by Spack
+        env.set("AMREX_SPACEDIM", 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")
+
+        # control build parallelism
+        env.set("CMAKE_BUILD_PARALLEL_LEVEL", make_jobs)