diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/qmcpack/package.py | 48 |
1 files changed, 30 insertions, 18 deletions
diff --git a/var/spack/repos/builtin/packages/qmcpack/package.py b/var/spack/repos/builtin/packages/qmcpack/package.py index 07724f63fe..c1cd86e1d0 100644 --- a/var/spack/repos/builtin/packages/qmcpack/package.py +++ b/var/spack/repos/builtin/packages/qmcpack/package.py @@ -22,6 +22,7 @@ class Qmcpack(CMakePackage, CudaPackage): # can occasionally change. # NOTE: 12/19/2017 QMCPACK 3.0.0 does not build properly with Spack. version('develop') + version('3.10.0', tag='v3.10.0') version('3.9.2', tag='v3.9.2') version('3.9.1', tag='v3.9.1') version('3.9.0', tag='v3.9.0') @@ -47,9 +48,11 @@ class Qmcpack(CMakePackage, CudaPackage): description='Build the mixed precision (mixture of single and ' 'double precision) version') variant('soa', default=True, - description='Build with Structure-of-Array instead of ' - 'Array-of-Structure code. Only for CPU code') - variant('timers', default=False, + description='Build with Structure-of-Array (SoA) instead of ' + 'Array-of-Structure code (AoS). This is a legacy ' + 'option and the AoS code is not available after ' + 'v3.10.0. Only affected performance, not results.') + variant('timers', default=True, description='Build with support for timers') variant('da', default=False, description='Install with support for basic data analysis tools') @@ -74,6 +77,11 @@ class Qmcpack(CMakePackage, CudaPackage): # high-level variant conflicts conflicts( + '~soa', + when='@3.10.0:', + msg='AoS code path is not available after QMCPACK v3.10.0') + + conflicts( '+phdf5', when='~mpi', msg='Parallel collective I/O requires MPI-enabled QMCPACK. ' @@ -87,17 +95,28 @@ class Qmcpack(CMakePackage, CudaPackage): conflicts('^openblas+ilp64', msg='QMCPACK does not support OpenBLAS 64-bit integer variant') + conflicts('cuda_arch=none', + when='+cuda', + msg='A value for cuda_arch must be specified. Add cuda_arch=XX') + # Omitted for now due to concretizer bug # conflicts('^intel-mkl+ilp64', # msg='QMCPACK does not support MKL 64-bit integer variant') + # QMCPACK 3.10.0 increased the minimum requirements for compiler versions + newer_compiler_warning = 'QMCPACK v3.10.0 or later requires a newer ' \ + 'version of this compiler' + conflicts('%gcc@:6', when='@3.10.0:', msg=newer_compiler_warning) + conflicts('%intel@:18', when='@3.10.0:', msg=newer_compiler_warning) + conflicts('%clang@:6', when='@3.10.0:', msg=newer_compiler_warning) + # QMCPACK 3.6.0 or later requires support for C++14 - compiler_warning = 'QMCPACK 3.6.0 or later requires a ' \ - 'compiler with support for C++14' - conflicts('%gcc@:4', when='@3.6.0:', msg=compiler_warning) - conflicts('%intel@:17', when='@3.6.0:', msg=compiler_warning) - conflicts('%pgi@:17', when='@3.6.0:', msg=compiler_warning) - conflicts('%llvm@:3.4', when='@3.6.0:', msg=compiler_warning) + cpp14_warning = 'QMCPACK v3.6.0 or later requires a ' \ + 'compiler with support for C++14' + conflicts('%gcc@:4', when='@3.6.0:', msg=cpp14_warning) + conflicts('%intel@:17', when='@3.6.0:', msg=cpp14_warning) + conflicts('%pgi@:17', when='@3.6.0:', msg=cpp14_warning) + conflicts('%clang@:3.4', when='@3.6.0:', msg=cpp14_warning) conflicts('+afqmc', when='@:3.6.0', msg='AFQMC not recommended before v3.7') conflicts('+afqmc', when='~mpi', msg='AFQMC requires building with +mpi') @@ -125,6 +144,7 @@ class Qmcpack(CMakePackage, CudaPackage): # Essential libraries depends_on('cmake@3.4.3:', when='@:3.5.0', type='build') depends_on('cmake@3.6.0:', when='@3.6.0:', type='build') + depends_on('cmake@3.14.0:', when='@3.10.0:', type='build') depends_on('boost') depends_on('boost@1.61.0:', when='@3.6.0:') depends_on('libxml2') @@ -265,14 +285,7 @@ class Qmcpack(CMakePackage, CudaPackage): 'QMCPACK only supports compilation for a single ' 'GPU architecture at a time' ) - if cuda_arch != 'none': - args.append('-DCUDA_ARCH=sm_{0}'.format(cuda_arch)) - 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') + args.append('-DCUDA_ARCH=sm_{0}'.format(cuda_arch)) else: args.append('-DQMC_CUDA=0') @@ -352,7 +365,6 @@ class Qmcpack(CMakePackage, CudaPackage): # We assume cwd is self.stage.source_path, then # install manual, labs, and nexus - install_tree('manual', prefix.manual) install_tree('labs', prefix.labs) install_tree('nexus', prefix.nexus) |