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QMCPACK package: cuda/hdf5 fixes (#10701)

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* Make use of new QE multi-valued HDF5 variant interface
* Remove explicit CUDA dependency (which is handled by inheriting
  from CudaPackage)
* Update cuda_arch unset variant check
This commit is contained in:
Nichols A. Romero 2019-02-26 20:50:32 -06:00 committed by Peter Scheibel
parent c11f598e0b
commit d9b7c1faea
1 changed files with 8 additions and 4 deletions
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12
var/spack/repos/builtin/packages/qmcpack/package.py
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@ -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 @@ def cmake_args(self):
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')