From bbaf6e05d2220440cab5e8d0f7a05e7cf5a75d23 Mon Sep 17 00:00:00 2001 From: Thilina Rathnayake Date: Fri, 2 Apr 2021 06:50:31 -0500 Subject: nekRS: new package (#22519) This initial package recipe uses a custom-built wrapper to drive an internal CMake file. Since nekRS also includes built-in copies of several dependencies such as BLAS and HYPRE, it cannot be linked with other such dependencies. However, to work with the `ceed` metapackage, we cannot add `^blas` conflicts to nekRS. See https://github.com/spack/spack/pull/22519 for discussion. --- var/spack/repos/builtin/packages/nekrs/package.py | 141 ++++++++++++++++++++++ 1 file changed, 141 insertions(+) create mode 100644 var/spack/repos/builtin/packages/nekrs/package.py (limited to 'var') diff --git a/var/spack/repos/builtin/packages/nekrs/package.py b/var/spack/repos/builtin/packages/nekrs/package.py new file mode 100644 index 0000000000..731c34e21f --- /dev/null +++ b/var/spack/repos/builtin/packages/nekrs/package.py @@ -0,0 +1,141 @@ +# Copyright 2013-2021 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 import * +import os + + +class Nekrs(Package, 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" + + tags = ['cfd', 'flow', 'hpc', 'solver', 'navier-stokes', + 'spectral-elements', 'fluid', 'ecp', 'ecp-apps'] + + maintainers = ['thilinarmtb', 'stgeke'] + + version('21.0', tag='v21.0') + + variant('cuda', + default=False, + description='Activates support for CUDA') + variant('opencl', + default=False, + description='Activates support for OpenCL') + variant('hip', + default=False, + description='Activates support for HIP') + + # 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('mpi') + depends_on('git') + depends_on('cmake') + + depends_on('cuda', when='+cuda') + depends_on('hip', when='+rocm') + + @run_before('install') + def fortran_check(self): + if not self.compiler.f77: + msg = 'Cannot build NekRS without a Fortran 77 compiler.' + raise RuntimeError(msg) + + # Following 4 methods are stolen from OCCA since we are using OCCA + # shipped with nekRS. + def _setup_runtime_flags(self, s_env): + spec = self.spec + s_env.set('OCCA_CXX', self.compiler.cxx) + + cxxflags = spec.compiler_flags['cxxflags'] + if cxxflags: + # Run-time compiler flags: + s_env.set('OCCA_CXXFLAGS', ' '.join(cxxflags)) + + if '+cuda' in spec: + cuda_dir = spec['cuda'].prefix + # Run-time CUDA compiler: + s_env.set('OCCA_CUDA_COMPILER', + join_path(cuda_dir, 'bin', 'nvcc')) + + def setup_build_environment(self, env): + spec = self.spec + # The environment variable CXX is automatically set to the Spack + # compiler wrapper. + + # The cxxflags, if specified, will be set by the Spack compiler wrapper + # while the environment variable CXXFLAGS will remain undefined. + # We define CXXFLAGS in the environment to tell OCCA to use the user + # specified flags instead of its defaults. This way the compiler will + # get the cxxflags twice - once from the Spack compiler wrapper and + # second time from OCCA - however, only the second one will be seen in + # the verbose output, so we keep both. + cxxflags = spec.compiler_flags['cxxflags'] + if cxxflags: + env.set('CXXFLAGS', ' '.join(cxxflags)) + + # For the cuda, openmp, and opencl variants, set the environment + # variable OCCA_{CUDA,OPENMP,OPENCL}_ENABLED only if the variant is + # disabled. Otherwise, let OCCA autodetect what is available. + + if '+cuda' in spec: + cuda_dir = spec['cuda'].prefix + cuda_libs_list = ['libcuda', 'libcudart', 'libOpenCL'] + cuda_libs = find_libraries(cuda_libs_list, + cuda_dir, + shared=True, + recursive=True) + env.set('OCCA_INCLUDE_PATH', cuda_dir.include) + env.set('OCCA_LIBRARY_PATH', ':'.join(cuda_libs.directories)) + env.set('OCCA_CUDA_ENABLED', '1') + else: + env.set('OCCA_CUDA_ENABLED', '0') + + env.set('OCCA_OPENCL_ENABLED', '1' if '+opencl' in spec else '0') + env.set('OCCA_HIP_ENABLED', '1' if '+rocm' in spec else '0') + + # Setup run-time environment for testing. + env.set('OCCA_VERBOSE', '1') + self._setup_runtime_flags(env) + + def setup_run_environment(self, env): + # The 'env' is included in the Spack generated module files. + self._setup_runtime_flags(env) + + def setup_dependent_build_environment(self, env, dependent_spec): + # Export OCCA_* variables for everyone using this package from within + # Spack. + self._setup_runtime_flags(env) + + def install(self, spec, prefix): + script_dir = 'scripts' + + with working_dir(script_dir): + # Make sure nekmpi wrapper uses srun when we know OpenMPI + # is not built with mpiexec + if '^openmpi~legacylaunchers' in spec: + filter_file(r'mpirun -np', 'srun -n', 'nrsmpi') + filter_file(r'mpirun -np', 'srun -n', 'nrspre') + filter_file(r'mpirun -np', 'srun -n', 'nrsbmpi') + + 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) -- cgit v1.2.3-70-g09d2