Add DTK-compatible nekRS

repos/spack_repo/hygon/tsoc/packages/nekrs/package.py

+# Copyright Spack Project Developers. See COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+import os
+
+from spack_repo.builtin.build_systems import cmake, generic
+from spack_repo.builtin.build_systems.cmake import CMakePackage
+from spack_repo.builtin.build_systems.cuda import CudaPackage
+from spack_repo.builtin.build_systems.generic import Package
+from spack_repo.builtin.build_systems.rocm import ROCmPackage
+
+from spack.package import *
+
+
+class Nekrs(Package, CMakePackage, CudaPackage, ROCmPackage):
+    """nekRS is an open-source Navier Stokes solver based on the spectral
+    element method targeting classical processors and hardware accelerators
+    like GPUs"""
+
+    homepage = "https://github.com/Nek5000/nekRS"
+    git = "https://github.com/Nek5000/nekRS.git"
+    url = "https://github.com/Nek5000/nekRS/archive/refs/tags/v23.0.tar.gz"
+
+    tags = [
+        "cfd",
+        "flow",
+        "hpc",
+        "solver",
+        "navier-stokes",
+        "spectral-elements",
+        "fluid",
+        "ecp",
+        "ecp-apps",
+    ]
+
+    maintainers("thilinarmtb", "stgeke")
+
+    license("BSD-3-Clause")
+
+    build_system(
+        conditional("cmake", when="@23.0:"), conditional("generic", when="@=21.0"), default="cmake"
+    )
+
+    version("23.0", sha256="2cb4ded69551b9614036e1a9d5ac54c8535826eae8f8b6a00ddb89043b2c392a")
+    version("21.0", tag="v21.0", commit="bcd890bf3f9fb4d91224c83aeda75c33570f1eaa")
+
+    variant("dpcpp", default=False, description="Enable OCCA SYCL/DPCPP backend")
+    variant("opencl", default=False, description="Activates support for OpenCL")
+    variant("gpu_mpi", default=True, description="Enable GPU-aware MPI support")
+    variant("amgx", default=False, description="Enable NVIDIA AMGX support (requires CUDA)")
+    variant("cvode", default=False, description="Enable CVODE support")
+    variant("hypre_gpu", default=False, description="Enable HYPRE GPU support")
+
+    conflicts("+amgx~cuda", msg="AMGX support requires CUDA")
+    conflicts("+cvode+opencl", msg="CVODE + OpenCL is not supported by nekRS")
+    conflicts("+cvode+dpcpp", msg="CVODE + DPCPP is not supported by nekRS")
+    conflicts("+cvode+rocm", msg="CVODE + HIP/ROCm is not supported by nekRS")
+
+    # Conflicts:
+    # nekrs includes following packages, but in order to build as part of
+    # CEED we can't leave them in as conflicts. They should be enabled
+    # sometime in future.
+    # for pkg in ['occa', 'hyper', 'nek5000', 'blas', 'lapack', 'gslib']:
+    #     conflicts('^' + pkg, msg=(pkg + " is built into nekRS"))
+
+    # Dependencies
+    depends_on("c", type="build")  # generated
+    depends_on("cxx", type="build")  # generated
+    depends_on("fortran", type="build")  # generated
+
+    depends_on("mpi")
+    depends_on("git", type="build")
+    depends_on("cmake@3.18:", type="build")
+
+    def patch(self):
+        with working_dir("scripts"):
+            # Make sure nekmpi wrapper uses srun when we know OpenMPI
+            # is not built with mpiexec
+            if self.spec.satisfies("^openmpi~legacylaunchers"):
+                filter_file(r"mpirun -np", "srun -n", "nrsmpi")
+                filter_file(r"mpirun -np", "srun -n", "nrspre")
+                filter_file(r"mpirun -np", "srun -n", "nrsbmpi")
+
+        # nekRS upstream writes nekrs.conf into CMAKE_INSTALL_PREFIX at configure
+        # time, which is not Spack-friendly. Redirect it into the build tree
+        # and install it normally.
+        if self.spec.satisfies("@23.0:"):
+            filter_file(
+                r"\$\{CMAKE_INSTALL_PREFIX\}/nekrs\.conf",
+                r"${CMAKE_CURRENT_BINARY_DIR}/nekrs.conf",
+                "CMakeLists.txt",
+            )
+            filter_file(
+                r"file\(MAKE_DIRECTORY \$\{CMAKE_INSTALL_PREFIX\}/3rd_party\)",
+                "install(FILES ${CMAKE_CURRENT_BINARY_DIR}/nekrs.conf DESTINATION .)\n"
+                "install(CODE \"file(MAKE_DIRECTORY \\\"${CMAKE_INSTALL_PREFIX}/3rd_party\\\")\")",
+                "CMakeLists.txt",
+            )
+
+    def setup_build_environment(self, env: EnvironmentModifications) -> None:
+        spec = self.spec
+
+        cxxflags = spec.compiler_flags.get("cxxflags", [])
+        if cxxflags:
+            # Help OCCA pick up user flags (Spack wrappers still add them too).
+            env.set("CXXFLAGS", " ".join(cxxflags))
+
+        # Make backend availability explicit for deterministic builds.
+        env.set("OCCA_CUDA_ENABLED", "1" if "+cuda" in spec else "0")
+        env.set("OCCA_HIP_ENABLED", "1" if "+rocm" in spec else "0")
+        env.set("OCCA_OPENCL_ENABLED", "1" if "+opencl" in spec else "0")
+        env.set("OCCA_DPCPP_ENABLED", "1" if "+dpcpp" in spec else "0")
+
+    def setup_run_environment(self, env: EnvironmentModifications) -> None:
+        # The 'env' is included in the Spack generated module files.
+        spec = self.spec
+
+        env.set("NEKRS_HOME", self.prefix)
+        env.prepend_path("PATH", self.prefix.bin)
+        env.set("OCCA_CXX", self.compiler.cxx)
+
+        cxxflags = spec.compiler_flags.get("cxxflags", [])
+        if cxxflags:
+            # Run-time compiler flags:
+            env.set("OCCA_CXXFLAGS", " ".join(cxxflags))
+
+        if "+cuda" in spec:
+            cuda_dir = spec["cuda"].prefix
+            # Run-time CUDA compiler:
+            env.set("OCCA_CUDA_COMPILER", join_path(cuda_dir, "bin", "nvcc"))
+
+    def setup_dependent_build_environment(
+        self, env: EnvironmentModifications, dependent_spec: Spec
+    ) -> None:
+        # Export the same runtime settings for dependents built in Spack.
+        self.setup_run_environment(env)
+
+class GenericBuilder(generic.GenericBuilder):
+    def install(self, pkg, spec, prefix):
+        makenrs = Executable(os.path.join(os.getcwd(), "makenrs"))
+
+        makenrs.add_default_env("NEKRS_INSTALL_DIR", prefix)
+        makenrs.add_default_env("NEKRS_CC", spec["mpi"].mpicc)
+        makenrs.add_default_env("NEKRS_CXX", spec["mpi"].mpicxx)
+        makenrs.add_default_env("NEKRS_FC", spec["mpi"].mpifc)
+        makenrs.add_default_env("TRAVIS", "true")
+
+        makenrs(output=str, error=str, fail_on_error=True)
+
+
+class CMakeBuilder(cmake.CMakeBuilder):
+    def cmake_args(self):
+        cxxflags = self.spec.compiler_flags.get("cxxflags", [])
+        cxxflags_str = " ".join(cxxflags) if cxxflags else ""
+        args = [
+            # Match upstream recommended usage: MPI wrappers for all languages.
+            self.define("CMAKE_C_COMPILER", self.spec["mpi"].mpicc),
+            self.define("CMAKE_CXX_COMPILER", self.spec["mpi"].mpicxx),
+            self.define("CMAKE_Fortran_COMPILER", self.spec["mpi"].mpifc),
+            self.define("NEKRS_COMPILER_FLAGS", cxxflags_str),
+            self.define("OCCA_CXXFLAGS", cxxflags_str),
+            self.define_from_variant("ENABLE_CUDA", "cuda"),
+            self.define_from_variant("ENABLE_OPENCL", "opencl"),
+            self.define_from_variant("ENABLE_HIP", "rocm"),
+            self.define_from_variant("ENABLE_DPCPP", "dpcpp"),
+            self.define_from_variant("NEKRS_GPU_MPI", "gpu_mpi"),
+            self.define_from_variant("ENABLE_AMGX", "amgx"),
+            self.define_from_variant("ENABLE_CVODE", "cvode"),
+            self.define_from_variant("ENABLE_HYPRE_GPU", "hypre_gpu"),
+        ]
+        return args