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authorTodd Gamblin <tgamblin@llnl.gov>2022-07-30 15:19:18 -0700
committerTodd Gamblin <tgamblin@llnl.gov>2022-07-31 13:29:20 -0700
commitf52f6e99dbf1131886a80112b8c79dfc414afb7c (patch)
tree05cb7d64b2395922f2f24683da49f472075be12c /var/spack/repos/builtin/packages/salmon-tddft/package.py
parent549ba1ed32372c67fc57271cde3797d58b7dec6e (diff)
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Diffstat (limited to 'var/spack/repos/builtin/packages/salmon-tddft/package.py')
-rw-r--r--var/spack/repos/builtin/packages/salmon-tddft/package.py116
1 files changed, 60 insertions, 56 deletions
diff --git a/var/spack/repos/builtin/packages/salmon-tddft/package.py b/var/spack/repos/builtin/packages/salmon-tddft/package.py
index 4d79957583..56efc406ed 100644
--- a/var/spack/repos/builtin/packages/salmon-tddft/package.py
+++ b/var/spack/repos/builtin/packages/salmon-tddft/package.py
@@ -18,81 +18,85 @@ class SalmonTddft(CMakePackage):
homepage = "https://salmon-tddft.jp"
url = "https://salmon-tddft.jp/download/SALMON-v.2.0.0.tar.gz"
- version('2.0.0', sha256='c3bb80bc5d338cba21cd8f345acbf2f2d81ef75af069a0a0ddbdc0acf358456c')
- version('1.2.1', sha256='a5045149e49abe9dd9edefe00cd1508a1323081bc3d034632176b728effdbaeb')
+ version("2.0.0", sha256="c3bb80bc5d338cba21cd8f345acbf2f2d81ef75af069a0a0ddbdc0acf358456c")
+ version("1.2.1", sha256="a5045149e49abe9dd9edefe00cd1508a1323081bc3d034632176b728effdbaeb")
- variant('mpi', default=False, description='Enable MPI')
- variant('libxc', default=False, description='Enable libxc')
- variant('scalapack', default=False, description='Enable scalapack')
- variant('eigenexa', default=False, description='Enable eigenexa')
+ variant("mpi", default=False, description="Enable MPI")
+ variant("libxc", default=False, description="Enable libxc")
+ variant("scalapack", default=False, description="Enable scalapack")
+ variant("eigenexa", default=False, description="Enable eigenexa")
variant(
- 'manycore', default=False,
- description='Enable optimization of reduction for many-core processor'
+ "manycore",
+ default=False,
+ description="Enable optimization of reduction for many-core processor",
)
variant(
- 'current_processing', default=False,
- description='Enable preprocessing of the current computation in RT'
+ "current_processing",
+ default=False,
+ description="Enable preprocessing of the current computation in RT",
)
- depends_on('cmake@3.14:', type='build')
- depends_on('mpi', type='link', when='+mpi')
- depends_on('scalapack', type='link', when='+scalapack')
- depends_on('eigenexa', type='link', when='+eigenexa')
- depends_on('lapack', type='link')
- depends_on('libxc', type='link', when='+libxc')
- depends_on('libxc@:4.9', type='link', when='@:1.9.9 +libxc')
+ depends_on("cmake@3.14:", type="build")
+ depends_on("mpi", type="link", when="+mpi")
+ depends_on("scalapack", type="link", when="+scalapack")
+ depends_on("eigenexa", type="link", when="+eigenexa")
+ depends_on("lapack", type="link")
+ depends_on("libxc", type="link", when="+libxc")
+ depends_on("libxc@:4.9", type="link", when="@:1.9.9 +libxc")
- conflicts('+scalapack', when='~mpi')
- conflicts('+eigenexa', when='@:1.9.9')
- conflicts('+eigenexa', when='~scalapack')
- conflicts('+manycore', when='@2.0.0:')
- conflicts('+current_processing', when='@2.0.0:')
+ conflicts("+scalapack", when="~mpi")
+ conflicts("+eigenexa", when="@:1.9.9")
+ conflicts("+eigenexa", when="~scalapack")
+ conflicts("+manycore", when="@2.0.0:")
+ conflicts("+current_processing", when="@2.0.0:")
- patch('fjmpi.patch', when='@2.0.0: %fj')
- patch('v2.0.libxc-5.0.patch', when='@2.0.0 +libxc')
- patch('cmakefix.patch', when='+scalapack')
+ patch("fjmpi.patch", when="@2.0.0: %fj")
+ patch("v2.0.libxc-5.0.patch", when="@2.0.0 +libxc")
+ patch("cmakefix.patch", when="+scalapack")
def cmake_args(self):
define_from_variant = self.define_from_variant
spec = self.spec
define = self.define
args = [
- define_from_variant('USE_SCALAPACK', 'scalapack'),
- define_from_variant('USE_EIGENEXA', 'eigenexa'),
- define_from_variant('USE_MPI', 'mpi'),
- define_from_variant('USE_LIBXC', 'libxc'),
- define_from_variant('REDUCE_FOR_MANYCORE', 'manycore'),
- define_from_variant('CURRENT_PREPROCESSING', 'current_processing')
+ define_from_variant("USE_SCALAPACK", "scalapack"),
+ define_from_variant("USE_EIGENEXA", "eigenexa"),
+ define_from_variant("USE_MPI", "mpi"),
+ define_from_variant("USE_LIBXC", "libxc"),
+ define_from_variant("REDUCE_FOR_MANYCORE", "manycore"),
+ define_from_variant("CURRENT_PREPROCESSING", "current_processing"),
]
- if spec.satisfies('+mpi'):
- args.extend([
- define('CMAKE_C_COMPILER', spec['mpi'].mpicc),
- define('CMAKE_Fortran_COMPILER', spec['mpi'].mpifc),
- ])
- if spec.satisfies('+scalapack'):
- math_libs = spec['scalapack'].libs + \
- spec['lapack'].libs + spec['blas'].libs
- if spec.satisfies('@2.0:'):
- args.append(define('ScaLAPACK_VENDOR_FLAGS',
- math_libs.ld_flags))
+ if spec.satisfies("+mpi"):
+ args.extend(
+ [
+ define("CMAKE_C_COMPILER", spec["mpi"].mpicc),
+ define("CMAKE_Fortran_COMPILER", spec["mpi"].mpifc),
+ ]
+ )
+ if spec.satisfies("+scalapack"):
+ math_libs = spec["scalapack"].libs + spec["lapack"].libs + spec["blas"].libs
+ if spec.satisfies("@2.0:"):
+ args.append(define("ScaLAPACK_VENDOR_FLAGS", math_libs.ld_flags))
else:
- args.extend([
- define('BLACS_LINKER_FLAGS', math_libs.ld_flags),
- define('BLACS_LIBRARIES', math_libs.libraries),
- define('ScaLAPACK_LINKER_FLAGS', math_libs.ld_flags),
- define('ScaLAPACK_LIBRARIES', math_libs.libraries)
- ])
- if spec.satisfies('^fujitsu-mpi'):
- args.append(define('USE_FJMPI', True))
+ args.extend(
+ [
+ define("BLACS_LINKER_FLAGS", math_libs.ld_flags),
+ define("BLACS_LIBRARIES", math_libs.libraries),
+ define("ScaLAPACK_LINKER_FLAGS", math_libs.ld_flags),
+ define("ScaLAPACK_LIBRARIES", math_libs.libraries),
+ ]
+ )
+ if spec.satisfies("^fujitsu-mpi"):
+ args.append(define("USE_FJMPI", True))
else:
- args.append(define('USE_FJMPI', False))
- if spec.satisfies('%fj'):
- args.append(self.define('CMAKE_Fortran_MODDIR_FLAG', '-M'))
+ args.append(define("USE_FJMPI", False))
+ if spec.satisfies("%fj"):
+ args.append(self.define("CMAKE_Fortran_MODDIR_FLAG", "-M"))
return args
def flag_handler(self, name, flags):
flags = list(flags)
- if name == 'fflags':
- if self.spec.satisfies('%gcc'):
- flags.append('-ffree-line-length-none')
+ if name == "fflags":
+ if self.spec.satisfies("%gcc"):
+ flags.append("-ffree-line-length-none")
return (None, None, flags)