diff options
| -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' |