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authorTiziano Müller <tiziano.mueller@chem.uzh.ch>2019-10-29 14:08:58 +0100
committerMassimiliano Culpo <massimiliano.culpo@gmail.com>2019-10-29 14:08:58 +0100
commit0a5c184a5dc76f0a85650e9f42cce94251d9791a (patch)
treee7977e1dff7268026830ad0c1958731ff5a27ae3
parent3cf21e6edc14e8431a0a65867a45df35aef1911e (diff)
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CP2K: drop json-fortran dependency and add support for the Nvidia V100 (#13468)
* cp2k: drop json-fortran dep since that's now handled in SIRIUS internally * cp2k: gained support for Nvidias V100
-rw-r--r--var/spack/repos/builtin/packages/cp2k/package.py9
1 files changed, 2 insertions, 7 deletions
diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py
index 36b94926da..4bccecf860 100644
--- a/var/spack/repos/builtin/packages/cp2k/package.py
+++ b/var/spack/repos/builtin/packages/cp2k/package.py
@@ -50,7 +50,7 @@ class Cp2k(MakefilePackage, CudaPackage):
variant('cuda_arch',
description='CUDA architecture',
default='none',
- values=('none', '35', '37', '60'),
+ values=('none', '35', '37', '60', '70'),
multi=False)
variant('cuda_arch_35_k20x', default=False,
description=('CP2K (resp. DBCSR) has specific parameter sets for'
@@ -121,8 +121,6 @@ class Cp2k(MakefilePackage, CudaPackage):
# a consistent/compat. combination is pulled in to the dependency graph.
depends_on('sirius+fortran+vdwxc+shared+openmp', when='+sirius+openmp')
depends_on('sirius+fortran+vdwxc+shared~openmp', when='+sirius~openmp')
- # to get JSON-based UPF format support used in combination with SIRIUS
- depends_on('json-fortran', when='+sirius')
# the bundled libcusmm uses numpy in the parameter prediction (v7+)
depends_on('py-numpy', when='@7:+cuda', type='build')
@@ -370,10 +368,6 @@ class Cp2k(MakefilePackage, CudaPackage):
fcflags += ['-I{0}'.format(os.path.join(sirius.prefix, 'fortran'))]
libs += list(sirius.libs)
- cppflags.append('-D__JSON')
- fcflags += ['$(shell pkg-config --cflags json-fortran)']
- libs += ['$(shell pkg-config --libs json-fortran)']
-
if self.spec.satisfies('+cuda'):
cppflags += ['-D__ACC']
libs += ['-lcudart', '-lnvrtc', '-lcuda']
@@ -394,6 +388,7 @@ class Cp2k(MakefilePackage, CudaPackage):
'35': 'K40',
'37': 'K80',
'60': 'P100',
+ '70': 'V100',
}[cuda_arch]
if (cuda_arch == '35'