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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 BigdftFutile(AutotoolsPackage, CudaPackage):
"""BigDFT-futile: a library handling most common FORTRAN low-level operations,
like memory managment, profiling routines, I/O operations.
It also supports yaml output and parsing for fortran programs.
It also provides wrappers routines to MPI and linear algebra operations.
This library is intensively used in BigDFT packages."""
homepage = "https://bigdft.org/"
url = "https://gitlab.com/l_sim/bigdft-suite/-/archive/1.9.2/bigdft-suite-1.9.2.tar.gz"
git = "https://gitlab.com/l_sim/bigdft-suite.git"
version('develop', branch='devel')
version('1.9.2', sha256='dc9e49b68f122a9886fa0ef09970f62e7ba21bb9ab1b86be9b7d7e22ed8fbe0f')
version('1.9.1', sha256='3c334da26d2a201b572579fc1a7f8caad1cbf971e848a3e10d83bc4dc8c82e41')
version('1.9.0', sha256='4500e505f5a29d213f678a91d00a10fef9dc00860ea4b3edf9280f33ed0d1ac8')
version('1.8.3', sha256='f112bb08833da4d11dd0f14f7ab10d740b62bc924806d77c985eb04ae0629909')
version('1.8.2', sha256='042e5a3b478b1a4c050c450a9b1be7bcf8e13eacbce4759b7f2d79268b298d61')
version('1.8.1', sha256='e09ff0ba381f6ffbe6a3c0cb71db5b73117874beb41f22a982a7e5ba32d018b3')
variant('mpi', default=True, description='Enable MPI support')
variant('openmp', default=True, description='Enable OpenMP support')
depends_on('python@:2.8', type=('build', 'run'), when="@:1.8.3")
depends_on('python@3.0:', type=('build', 'run'), when="@1.9.0:")
depends_on('python@3.0:', type=('build', 'run'), when="@develop")
depends_on('blas')
depends_on('lapack')
depends_on('libyaml')
depends_on('py-pyyaml')
depends_on('mpi', when='+mpi')
build_directory = "futile"
def autoreconf(self, spec, prefix):
autoreconf = which('autoreconf')
with working_dir(self.build_directory):
autoreconf('-fi')
def configure_args(self):
spec = self.spec
prefix = self.prefix
linalg = [spec['blas'].libs.ld_flags, spec['lapack'].libs.ld_flags]
python_version = spec['python'].version.up_to(2)
pyyaml = join_path(spec['py-pyyaml'].prefix.lib,
'python{0}'.format(python_version))
openmp_flag = []
if '+openmp' in spec:
openmp_flag.append(self.compiler.openmp_flag)
args = [
"FCFLAGS=%s" % " ".join(openmp_flag),
"--with-ext-linalg=%s" % " ".join(linalg),
"--with-yaml-path=%s" % spec['libyaml'].prefix,
"--with-pyyaml-path=%s" % pyyaml,
"--prefix=%s" % prefix,
]
if '+openmp' in spec:
args.append("--with-openmp")
else:
args.append("--without-openmp")
if '+mpi' in spec:
args.append("CC=%s" % spec['mpi'].mpicc)
args.append("CXX=%s" % spec['mpi'].mpicxx)
args.append("FC=%s" % spec['mpi'].mpifc)
args.append("F90=%s" % spec['mpi'].mpifc)
args.append("F77=%s" % spec['mpi'].mpif77)
else:
args.append("--disable-mpi")
if '+cuda' in spec:
args.append("--enable-opencl")
args.append("--with-ocl-path=%s" % spec['cuda'].prefix)
args.append("--enable-cuda-gpu")
args.append("--with-cuda-path=%s" % spec['cuda'].prefix)
return args
@property
def libs(self):
shared = "+shared" in self.spec
return find_libraries(
'libfutile-*', root=self.prefix, shared=shared, recursive=True
)
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