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WarpX: CMake (#21787)

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* New Package: py-picmistandard

* New Package: py-warpx

* WarpX: Transition to CMake
This commit is contained in:
Axel Huebl
2021-02-25 10:54:52 -08:00
committed by GitHub
parent 62662591ea
commit d05e0dfeef
3 changed files with 154 additions and 89 deletions
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# 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 *
class PyPicmistandard(PythonPackage):
"""Standard input format for Particle-In-Cell codes"""
homepage = "https://picmi-standard.github.io"
git = "https://github.com/picmi-standard/picmi.git"
maintainers = ['ax3l', 'dpgrote', 'RemiLehe']
version('develop', branch='master')
depends_on('python@3.6:', type=('build', 'run'))
depends_on('py-numpy', type=('build', 'run'))
depends_on('py-setuptools', type='build')
build_directory = 'PICMI_Python'

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# 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 *
class PyWarpx(PythonPackage):
"""WarpX is an advanced electromagnetic Particle-In-Cell code. It supports
many features including Perfectly-Matched Layers (PML) and mesh refinement.
In addition, WarpX is a highly-parallel and highly-optimized code and
features hybrid OpenMP/MPI parallelization, advanced vectorization
techniques and load balancing capabilities.
These are the Python bindings of WarpX with PICMI input support.
See the C++ 'warpx' package for the WarpX application and library.
"""
homepage = "https://ecp-warpx.github.io"
git = "https://github.com/ECP-WarpX/WarpX.git"
maintainers = ['ax3l', 'dpgrote', 'RemiLehe']
version('develop', branch='development')
variant('mpi', default=True,
description='Enable MPI support')
depends_on('python@3.6:', type=('build', 'run'))
depends_on('py-numpy@1.15.0:', type=('build', 'run'))
depends_on('py-mpi4py@2.0.0:', type=('build', 'run'), when='+mpi')
depends_on('py-periodictable@1.5:', type=('build', 'run'))
depends_on('py-picmistandard', type=('build', 'run'))
depends_on('py-setuptools@38.6:', type='build')
depends_on('py-wheel', type='build')
depends_on('warpx +lib ~mpi +shared', type=('build', 'link'), when='~mpi')
depends_on('warpx +lib +mpi +shared', type=('build', 'link'), when='+mpi')
def setup_build_environment(self, env):
env.set('PYWARPX_LIB_DIR', self.spec['warpx'].prefix.lib)

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var/spack/repos/builtin/packages/warpx/package.py
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
from spack.compiler import UnsupportedCompilerFlag
class Warpx(MakefilePackage):
class Warpx(CMakePackage):
"""WarpX is an advanced electromagnetic Particle-In-Cell code. It supports
many features including Perfectly-Matched Layers (PML) and mesh refinement.
In addition, WarpX is a highly-parallel and highly-optimized code and
features hybrid OpenMP/MPI parallelization, advanced vectorization
techniques and load balancing capabilities.
For WarpX' Python bindings and PICMI input support, see the 'py-warpx' package.
"""
homepage = "https://ecp-warpx.github.io/index.html"
homepage = "https://ecp-warpx.github.io"
git = "https://github.com/ECP-WarpX/WarpX.git"
maintainers = ['ax3l', 'dpgrote', 'MaxThevenet', 'RemiLehe']
version('develop', tag='development')
version('develop', branch='development')
variant('app', default=True,
description='Build the WarpX executable application')
variant('ascent', default=False,
description='Enable Ascent in situ vis')
variant('compute',
default='omp',
values=('omp', 'cuda', 'hip', 'sycl', 'noacc'),
multi=False,
description='On-node, accelerated computing backend')
variant('dims',
default='3',
values=('2', '3', 'rz'),
multi=False,
description='Number of spatial dimensions')
variant('backend',
default='openmp',
values=('openmp', 'cuda', 'hip'),
multi=True,
description='Programming model for compute kernels')
variant('mpi', default=True, description='Enable MPI support')
variant('psatd', default=True, description='Enable PSATD solver support')
variant('debug', default=False, description='Enable debugging features')
variant('tprof', default=True, description='Enable tiny profiling features')
variant('openpmd', default=True, description='Enable openPMD I/O')
variant('ascent', default=False, description='Enable Ascent in situ vis')
variant('eb', default=False,
description='Embedded boundary support (in development)')
variant('lib', default=True,
description='Build WarpX as a shared library')
variant('mpi', default=True,
description='Enable MPI support')
variant('mpithreadmultiple', default=True,
description='MPI thread-multiple support, i.e. for async_io')
variant('openpmd', default=True,
description='Enable openPMD I/O')
variant('precision',
default='double',
values=('single', 'double'),
multi=False,
description='Floating point precision (single/double)')
variant('psatd', default=True,
description='Enable PSATD solver support')
variant('qed', default=True,
description='Enable QED support')
variant('qedtablegen', default=False,
description='QED table generation support')
variant('shared', default=True,
description='Build a shared version of the library')
variant('tprof', default=True,
description='Enable tiny profiling features')
depends_on('cuda@9.2.88:', when='backend=cuda')
depends_on('mpi', when='+mpi')
depends_on('fftw@3:', when='+psatd backend=openmp')
depends_on('fftw +mpi', when='+psatd +mpi backend=openmp')
depends_on('ascent', when='+ascent')
depends_on('ascent +cuda', when='+ascent compute=cuda')
depends_on('ascent +mpi', when='+ascent +mpi')
depends_on('blaspp', when='+psatd dims=rz')
depends_on('boost@1.66.0: +math', when='+qedtablegen')
depends_on('cmake@3.15.0:', type='build')
depends_on('cuda@9.2.88:', when='compute=cuda')
depends_on('fftw@3:', when='+psatd compute=openmp')
depends_on('fftw +mpi', when='+psatd +mpi compute=openmp')
depends_on('lapackpp', when='+psatd dims=rz')
depends_on('pkgconfig', type='build', when='+openpmd')
depends_on('python', type='build') # AMReX' build system info
depends_on('mpi', when='+mpi')
depends_on('openpmd-api@0.13.1:,dev', when='+openpmd')
depends_on('openpmd-api +mpi', when='+openpmd +mpi')
depends_on('ascent', when='+ascent')
depends_on('ascent +cuda', when='+ascent backend=cuda')
depends_on('ascent +mpi', when='+ascent +mpi')
depends_on('pkgconfig', type='build', when='+psatd compute=openmp')
depends_on('rocfft', when='+psatd compute=hip')
depends_on('llvm-openmp', when='%apple-clang compute=omp')
resource(name='amrex',
git='https://github.com/AMReX-Codes/amrex.git',
when='@develop',
tag='development')
conflicts('~qed +qedtablegen',
msg='WarpX PICSAR QED table generation needs +qed')
conflicts('compute=sycl', when='+psatd',
msg='WarpX spectral solvers are not yet tested with SYCL '
'(use "warpx ~psatd")')
resource(name='picsar',
git='https://bitbucket.org/berkeleylab/picsar.git',
tag='master')
def cmake_args(self):
spec = self.spec
conflicts('backend=cuda', when='backend=hip',
msg='WarpX can be compiled with either CUDA or HIP backend')
conflicts('backend=hip', msg='WarpX\' HIP backend is not yet implemented')
args = [
'-DBUILD_SHARED_LIBS:BOOL={0}'.format(
'ON' if '+shared' in spec else 'OFF'),
# variants
'-DWarpX_APP:BOOL={0}'.format(
'ON' if '+app' in spec else 'OFF'),
'-DWarpX_ASCENT:BOOL={0}'.format(
'ON' if '+ascent' in spec else 'OFF'),
'-DWarpX_COMPUTE={0}'.format(
spec.variants['compute'].value.upper()),
'-DWarpX_DIMS={0}'.format(
spec.variants['dims'].value.upper()),
'-DWarpX_EB:BOOL={0}'.format(
'ON' if '+eb' in spec else 'OFF'),
'-DWarpX_LIB:BOOL={0}'.format(
'ON' if '+lib' in spec else 'OFF'),
'-DWarpX_MPI:BOOL={0}'.format(
'ON' if '+mpi' in spec else 'OFF'),
'-DWarpX_MPI_THREAD_MULTIPLE:BOOL={0}'.format(
'ON' if '+mpithreadmultiple' in spec else 'OFF'),
'-DWarpX_OPENPMD:BOOL={0}'.format(
'ON' if '+openpmd' in spec else 'OFF'),
'-DWarpX_PRECISION={0}'.format(
spec.variants['precision'].value.upper()),
'-DWarpX_PSATD:BOOL={0}'.format(
'ON' if '+psatd' in spec else 'OFF'),
'-DWarpX_QED:BOOL={0}'.format(
'ON' if '+qed' in spec else 'OFF'),
'-DWarpX_QED_TABLE_GEN:BOOL={0}'.format(
'ON' if '+qedtablegen' in spec else 'OFF'),
]
def edit(self, spec, prefix):
comp = 'gcc'
vendors = {'%gcc': 'gcc', '%intel': 'intel',
'%apple-clang': 'llvm', '%clang': 'llvm'}
for key, value in vendors.items():
if self.spec.satisfies(key):
comp = value
# Returns the string TRUE or FALSE
torf = lambda s: repr(s in spec).upper()
try:
self.compiler.openmp_flag
except UnsupportedCompilerFlag:
use_omp = 'FALSE'
else:
use_omp = torf('backend=openmp')
makefile = FileFilter('GNUmakefile')
makefile.filter('AMREX_HOME .*', 'AMREX_HOME = amrex')
makefile.filter('PICSAR_HOME .*', 'PICSAR_HOME = picsar')
makefile.filter('COMP .*', 'COMP = {0}'.format(comp))
makefile.filter('USE_MPI .*',
'USE_MPI = {0}'.format(torf('+mpi')))
if 'dims=rz' in spec:
makefile.filter('USE_RZ .*', 'USE_RZ = TRUE')
else:
makefile.filter('DIM .*', 'DIM = {0}'.format(
int(spec.variants['dims'].value)))
makefile.filter('USE_PSATD .*',
'USE_PSATD = {0}'.format(torf('+psatd')))
makefile.filter('USE_OMP .*',
'USE_OMP = {0}'.format(use_omp))
makefile.filter('USE_GPU .*',
'USE_GPU = {0}'.format(torf('backend=cuda')))
makefile.filter('USE_HIP .*',
'USE_HIP = {0}'.format(torf('backend=hip')))
makefile.filter('USE_OPENPMD .*',
'USE_OPENPMD = {0}'.format(torf('+openpmd')))
makefile.filter('USE_ASCENT_INSITU .*',
'USE_ASCENT_INSITU = {0}'.format(torf('+ascent')))
makefile.filter('DEBUG .*',
'DEBUG = {0}'.format(torf('+debug')))
makefile.filter('TINY_PROFILE .*',
'TINY_PROFILE = {0}'.format(torf('+tprof')))
makefile.filter('EBASE .*', 'EBASE = warpx')
def setup_build_environment(self, env):
# --- Fool the compiler into using the "unknown" configuration.
# --- With this, it will use the spack provided mpi.
env.set('HOSTNAME', 'unknown')
env.set('NERSC_HOST', 'unknown')
def install(self, spec, prefix):
make('WarpxBinDir = {0}'.format(prefix.bin), 'all')
return args