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octopus: add cuda variant (#25126)

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downloadico 2021-07-30 03:33:42 -06:00 committed by GitHub
parent 711ed17606
commit 72acc54d84
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1 changed files with 10 additions and 5 deletions
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15
var/spack/repos/builtin/packages/octopus/package.py
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@ -8,7 +8,7 @@
from spack import * from spack import *
class Octopus(Package): class Octopus(Package, CudaPackage):
"""A real-space finite-difference (time-dependent) density-functional """A real-space finite-difference (time-dependent) density-functional
theory code.""" theory code."""
@ -114,10 +114,15 @@ def install(self, spec, prefix):
'--with-scalapack=%s' % spec['scalapack'].libs '--with-scalapack=%s' % spec['scalapack'].libs
]) ])
# --with-etsf-io-prefix= if '+cuda' in spec:
# --with-sparskit=${prefix}/lib/libskit.a args.extend([
# --with-pfft-prefix=${prefix} --with-mpifftw-prefix=${prefix} '--enable-cuda'
# --with-berkeleygw-prefix=${prefix} ])
# --with-etsf-io-prefix=
# --with-sparskit=${prefix}/lib/libskit.a
# --with-pfft-prefix=${prefix} --with-mpifftw-prefix=${prefix}
# --with-berkeleygw-prefix=${prefix}
# When preprocessor expands macros (i.e. CFLAGS) defined as quoted # When preprocessor expands macros (i.e. CFLAGS) defined as quoted
# strings the result may be > 132 chars and is terminated. # strings the result may be > 132 chars and is terminated.