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| author | Tiziano Müller <tiziano.mueller@chem.uzh.ch> | 2019-10-29 14:08:58 +0100 |
|---|---|---|
| committer | Massimiliano Culpo <massimiliano.culpo@gmail.com> | 2019-10-29 14:08:58 +0100 |
| commit | 0a5c184a5dc76f0a85650e9f42cce94251d9791a (patch) | |
| tree | e7977e1dff7268026830ad0c1958731ff5a27ae3 | |
| parent | 3cf21e6edc14e8431a0a65867a45df35aef1911e (diff) | |
| download | spack-0a5c184a5dc76f0a85650e9f42cce94251d9791a.tar.gz spack-0a5c184a5dc76f0a85650e9f42cce94251d9791a.tar.bz2 spack-0a5c184a5dc76f0a85650e9f42cce94251d9791a.tar.xz spack-0a5c184a5dc76f0a85650e9f42cce94251d9791a.zip | |
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.py | 9 |
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' |