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Update CUDA support in QMCPACK (#10587)

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* Support in QMCPACK for CUDA_ARCH flag.

* No need to have explicit CUDA variant anymore.

* Internal QMCPACK CMake assumes a minimum GPU architecture if none is provided.
This commit is contained in:
Nichols A. Romero 2019-02-17 07:17:58 -06:00 committed by Todd Gamblin
parent a93581e8de
commit 05269ad392
1 changed files with 6 additions and 3 deletions
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9
var/spack/repos/builtin/packages/qmcpack/package.py
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@ -7,7 +7,7 @@
import llnl.util.tty as tty
class Qmcpack(CMakePackage):
class Qmcpack(CMakePackage, CudaPackage):
"""QMCPACK, is a modern high-performance open-source Quantum Monte
Carlo (QMC) simulation code."""
@ -34,8 +34,6 @@ class Qmcpack(CMakePackage):
variant('debug', default=False, description='Build debug version')
variant('mpi', default=True, description='Build with MPI support')
variant('phdf5', default=True, description='Build with parallel collective I/O')
variant('cuda', default=False,
description='Enable CUDA and GPU acceleration')
variant('complex', default=False,
description='Build the complex (general twist/k-point) version')
variant('mixed', default=False,
@ -217,6 +215,11 @@ 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:
args.append('-DCUDA_ARCH=sm_{0}'.format(cuda_arch[0]))
else:
args.append('-DCUDA_ARCH=sm_35')
else:
args.append('-DQMC_CUDA=0')