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salmon-tddft: add eigenexa variant (#21140)

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Toyohisa Kameyama 2021-01-19 13:52:50 +09:00 committed by GitHub
parent d1174bd40f
commit 3143222d87
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1 changed files with 5 additions and 0 deletions
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var/spack/repos/builtin/packages/salmon-tddft/package.py
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@ -24,6 +24,7 @@ class SalmonTddft(CMakePackage):
variant('mpi', default=False, description='Enable MPI') variant('mpi', default=False, description='Enable MPI')
variant('libxc', default=False, description='Enable libxc') variant('libxc', default=False, description='Enable libxc')
variant('scalapack', default=False, description='Enable scalapack') variant('scalapack', default=False, description='Enable scalapack')
variant('eigenexa', default=False, description='Enable eigenexa')
variant( variant(
'manycore', default=False, 'manycore', default=False,
description='Enable optimization of reduction for many-core processor' description='Enable optimization of reduction for many-core processor'
@ -36,11 +37,14 @@ class SalmonTddft(CMakePackage):
depends_on('cmake@3.14:', type='build') depends_on('cmake@3.14:', type='build')
depends_on('mpi', type='link', when='+mpi') depends_on('mpi', type='link', when='+mpi')
depends_on('scalapack', type='link', when='+scalapack') depends_on('scalapack', type='link', when='+scalapack')
depends_on('eigenexa', type='link', when='+eigenexa')
depends_on('lapack', type='link') depends_on('lapack', type='link')
depends_on('libxc', type='link', when='+libxc') depends_on('libxc', type='link', when='+libxc')
depends_on('libxc@:4.9', type='link', when='@:1.9.9 +libxc') depends_on('libxc@:4.9', type='link', when='@:1.9.9 +libxc')
conflicts('+scalapack', when='~mpi') conflicts('+scalapack', when='~mpi')
conflicts('+eigenexa', when='@:1.9.9')
conflicts('+eigenexa', when='~scalapack')
conflicts('+manycore', when='@2.0.0:') conflicts('+manycore', when='@2.0.0:')
conflicts('+current_processing', when='@2.0.0:') conflicts('+current_processing', when='@2.0.0:')
@ -54,6 +58,7 @@ def cmake_args(self):
define = self.define define = self.define
args = [ args = [
define_from_variant('USE_SCALAPACK', 'scalapack'), define_from_variant('USE_SCALAPACK', 'scalapack'),
define_from_variant('USE_EIGENEXA', 'eigenexa'),
define_from_variant('USE_MPI', 'mpi'), define_from_variant('USE_MPI', 'mpi'),
define_from_variant('USE_LIBXC', 'libxc'), define_from_variant('USE_LIBXC', 'libxc'),
define_from_variant('REDUCE_FOR_MANYCORE', 'manycore'), define_from_variant('REDUCE_FOR_MANYCORE', 'manycore'),