summaryrefslogtreecommitdiff
path: root/var/spack/repos/builtin/packages/bigdft-chess/package.py
diff options
context:
space:
mode:
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/bigdft-chess/package.py
parent549ba1ed32372c67fc57271cde3797d58b7dec6e (diff)
downloadspack-f52f6e99dbf1131886a80112b8c79dfc414afb7c.tar.gz
spack-f52f6e99dbf1131886a80112b8c79dfc414afb7c.tar.bz2
spack-f52f6e99dbf1131886a80112b8c79dfc414afb7c.tar.xz
spack-f52f6e99dbf1131886a80112b8c79dfc414afb7c.zip
black: reformat entire repository with black
Diffstat (limited to 'var/spack/repos/builtin/packages/bigdft-chess/package.py')
-rw-r--r--var/spack/repos/builtin/packages/bigdft-chess/package.py117
1 files changed, 57 insertions, 60 deletions
diff --git a/var/spack/repos/builtin/packages/bigdft-chess/package.py b/var/spack/repos/builtin/packages/bigdft-chess/package.py
index 4df4653cb2..e068f87d84 100644
--- a/var/spack/repos/builtin/packages/bigdft-chess/package.py
+++ b/var/spack/repos/builtin/packages/bigdft-chess/package.py
@@ -8,104 +8,103 @@ from spack.package import *
class BigdftChess(AutotoolsPackage, CudaPackage):
"""BigDFT-CheSS: A module for performing Fermi Operator Expansions
- via Chebyshev Polynomials."""
+ via Chebyshev Polynomials."""
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')
- variant('scalapack', default=True, description='Enable SCALAPACK support')
- variant('ntpoly', default=False, description='Option to use NTPoly')
+ 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")
+ variant("scalapack", default=True, description="Enable SCALAPACK support")
+ variant("ntpoly", default=False, description="Option to use NTPoly")
# variant('minpack', default=False, description='Give the link-line for MINPACK')
- 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("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('py-pyyaml')
- depends_on('mpi', when='+mpi')
- depends_on('scalapack', when='+scalapack')
- depends_on('ntpoly', when='+ntpoly')
+ depends_on("blas")
+ depends_on("lapack")
+ depends_on("py-pyyaml")
+ depends_on("mpi", when="+mpi")
+ depends_on("scalapack", when="+scalapack")
+ depends_on("ntpoly", when="+ntpoly")
# depends_on('netlib-minpack', when='+minpack')
- for vers in ['1.8.1', '1.8.2', '1.8.3', '1.9.0', '1.9.1', '1.9.2', 'develop']:
- depends_on('bigdft-futile@{0}'.format(vers), when='@{0}'.format(vers))
- for vers in ['1.8.3', '1.9.0', '1.9.1', '1.9.2', 'develop']:
- depends_on('bigdft-atlab@{0}'.format(vers), when='@{0}'.format(vers))
+ for vers in ["1.8.1", "1.8.2", "1.8.3", "1.9.0", "1.9.1", "1.9.2", "develop"]:
+ depends_on("bigdft-futile@{0}".format(vers), when="@{0}".format(vers))
+ for vers in ["1.8.3", "1.9.0", "1.9.1", "1.9.2", "develop"]:
+ depends_on("bigdft-atlab@{0}".format(vers), when="@{0}".format(vers))
build_directory = "chess"
def autoreconf(self, spec, prefix):
- autoreconf = which('autoreconf')
+ autoreconf = which("autoreconf")
with working_dir(self.build_directory):
- autoreconf('-fi')
+ autoreconf("-fi")
def configure_args(self):
spec = self.spec
prefix = self.prefix
- python_version = spec['python'].version.up_to(2)
- pyyaml = join_path(spec['py-pyyaml'].prefix.lib,
- 'python{0}'.format(python_version))
+ 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:
+ if "+openmp" in spec:
openmp_flag.append(self.compiler.openmp_flag)
linalg = []
- if '+scalapack' in spec:
- linalg.append(spec['scalapack'].libs.ld_flags)
+ if "+scalapack" in spec:
+ linalg.append(spec["scalapack"].libs.ld_flags)
args = [
- "FCFLAGS=%s" % " ".join(openmp_flag),
- "--with-ext-linalg=%s" % " ".join(linalg),
+ "FCFLAGS=%s" % " ".join(openmp_flag),
+ "--with-ext-linalg=%s" % " ".join(linalg),
"--with-pyyaml-path=%s" % pyyaml,
- "--with-futile-libs=%s" % spec['bigdft-futile'].prefix.lib,
- "--with-futile-incs=%s" % spec['bigdft-futile'].headers.include_flags,
- "--with-moduledir=%s" % prefix.include,
- "--prefix=%s" % prefix,
+ "--with-futile-libs=%s" % spec["bigdft-futile"].prefix.lib,
+ "--with-futile-incs=%s" % spec["bigdft-futile"].headers.include_flags,
+ "--with-moduledir=%s" % prefix.include,
+ "--prefix=%s" % prefix,
"--without-etsf-io",
]
- 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)
+ 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 '+openmp' in spec:
+ if "+openmp" in spec:
args.append("--with-openmp")
else:
args.append("--without-openmp")
- if spec.satisfies('@1.8.3:') or spec.satisfies('@develop'):
- args.append("--with-atlab-libs=%s" % spec['bigdft-atlab'].prefix.lib)
+ if spec.satisfies("@1.8.3:") or spec.satisfies("@develop"):
+ args.append("--with-atlab-libs=%s" % spec["bigdft-atlab"].prefix.lib)
- if '+cuda' in spec:
+ if "+cuda" in spec:
args.append("--enable-cuda-gpu")
- args.append("--with-cuda-path=%s" % spec['cuda'].prefix)
- args.append("--with-cuda-libs=%s" % spec['cuda'].libs.link_flags)
+ args.append("--with-cuda-path=%s" % spec["cuda"].prefix)
+ args.append("--with-cuda-libs=%s" % spec["cuda"].libs.link_flags)
- if '+minpack' in spec:
+ if "+minpack" in spec:
args.append("--with-minpack")
- if '+ntpoly' in spec:
+ if "+ntpoly" in spec:
args.append("--enable-ntpoly")
return args
@@ -113,6 +112,4 @@ class BigdftChess(AutotoolsPackage, CudaPackage):
@property
def libs(self):
shared = "+shared" in self.spec
- return find_libraries(
- 'libCheSS-*', root=self.prefix, shared=shared, recursive=True
- )
+ return find_libraries("libCheSS-*", root=self.prefix, shared=shared, recursive=True)