diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/qmcpack/package.py | 12 |
1 files changed, 8 insertions, 4 deletions
diff --git a/var/spack/repos/builtin/packages/qmcpack/package.py b/var/spack/repos/builtin/packages/qmcpack/package.py index 3a1210fd19..ec6f1e0f16 100644 --- a/var/spack/repos/builtin/packages/qmcpack/package.py +++ b/var/spack/repos/builtin/packages/qmcpack/package.py @@ -102,7 +102,7 @@ class Qmcpack(CMakePackage, CudaPackage): depends_on('boost@1.61.0:', when='@3.6.0:') depends_on('libxml2') depends_on('mpi', when='+mpi') - depends_on('cuda', when='+cuda') + # HDF5 depends_on('hdf5+hl+fortran', when='+qe') depends_on('hdf5+hl+fortran+mpi', when='+qe+mpi') @@ -132,11 +132,11 @@ class Qmcpack(CMakePackage, CudaPackage): # Spack package patch_url = 'https://raw.githubusercontent.com/QMCPACK/qmcpack/develop/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-6.3.diff' patch_checksum = '2ee346e24926479f5e96f8dc47812173a8847a58354bbc32cf2114af7a521c13' - depends_on('quantum-espresso@6.3~elpa+mpi+hdf5', + depends_on('quantum-espresso@6.3~elpa+mpi hdf5=parallel', patches=patch(patch_url, sha256=patch_checksum, when='+qe'), when='+qe+mpi', type='run') - depends_on('quantum-espresso@6.3~elpa~scalapack~mpi+hdf5', + depends_on('quantum-espresso@6.3~elpa~scalapack~mpi hdf5=serial', patches=patch(patch_url, sha256=patch_checksum, when='+qe'), when='+qe~mpi', type='run') @@ -216,9 +216,13 @@ class Qmcpack(CMakePackage, CudaPackage): if '+cuda' in spec: args.append('-DQMC_CUDA=1') cuda_arch = spec.variants['cuda_arch'].value - if cuda_arch is not None: + if cuda_arch != 'none': args.append('-DCUDA_ARCH=sm_{0}'.format(cuda_arch[0])) else: + # This is the default value set in QMCPACK's CMake + # Not possible to set default value for cuda_arch, + # thus this won't be stored in the spec, which is + # a problem. args.append('-DCUDA_ARCH=sm_35') else: args.append('-DQMC_CUDA=0') |