diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/cp2k/package.py | 26 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/dbcsr/package.py | 26 |
2 files changed, 35 insertions, 17 deletions
diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py index f86f02c1f4..cfb58cbd3c 100644 --- a/var/spack/repos/builtin/packages/cp2k/package.py +++ b/var/spack/repos/builtin/packages/cp2k/package.py @@ -52,14 +52,6 @@ class Cp2k(MakefilePackage, CudaPackage): ' and BQB compression')) variant('spglib', default=False, description='Enable support for spglib') - # override cuda_arch from CudaPackage since we only support one arch - # at a time and only specific ones for which we have parameter files - # for optimal kernels - variant('cuda_arch', - description='CUDA architecture', - default='none', - values=('none', '35', '37', '60', '70'), - multi=False) variant('cuda_arch_35_k20x', default=False, description=('CP2K (resp. DBCSR) has specific parameter sets for' ' different GPU models. Enable this when building' @@ -169,6 +161,19 @@ class Cp2k(MakefilePackage, CudaPackage): conflicts('~openmp', when='@8:', msg='Building without OpenMP is not supported in CP2K 8+') + # We only support specific cuda_archs for which we have parameter files + # for optimal kernels. Note that we don't override the cuda_archs property + # from the parent class, since the parent class defines constraints for all + # versions. Instead just mark all unsupported cuda archs as conflicting. + dbcsr_cuda_archs = ('35', '37', '60', '70') + cuda_msg = 'cp2k only supports cuda_arch {0}'.format(dbcsr_cuda_archs) + + for arch in CudaPackage.cuda_arch_values: + if arch not in dbcsr_cuda_archs: + conflicts('+cuda', when='cuda_arch={0}'.format(arch), msg=cuda_msg) + + conflicts('+cuda', when='cuda_arch=none', msg=cuda_msg) + @property def makefile_architecture(self): return '{0.architecture}-{0.compiler.name}'.format(self.spec) @@ -448,7 +453,7 @@ class Cp2k(MakefilePackage, CudaPackage): cppflags += ['-D__PW_CUDA'] libs += ['-lcufft', '-lcublas'] - cuda_arch = spec.variants['cuda_arch'].value + cuda_arch = spec.variants['cuda_arch'].value[0] if cuda_arch: gpuver = { '35': 'K40', @@ -581,6 +586,9 @@ class Cp2k(MakefilePackage, CudaPackage): ] def build(self, spec, prefix): + if len(spec.variants['cuda_arch'].value) > 1: + raise InstallError("cp2k supports only one cuda_arch at a time") + # Apparently the Makefile bases its paths on PWD # so we need to set PWD = self.build_directory with spack.util.environment.set_env(PWD=self.build_directory): diff --git a/var/spack/repos/builtin/packages/dbcsr/package.py b/var/spack/repos/builtin/packages/dbcsr/package.py index c1b610ffb2..8aee6147d5 100644 --- a/var/spack/repos/builtin/packages/dbcsr/package.py +++ b/var/spack/repos/builtin/packages/dbcsr/package.py @@ -21,11 +21,6 @@ class Dbcsr(CMakePackage, CudaPackage): variant('shared', default=True, description='Build shared library') variant('smm', default='libxsmm', values=('libxsmm', 'blas'), description='Library for small matrix multiplications') - variant('cuda_arch', - description='CUDA architecture', - default='none', - values=('none', '35', '37', '60', '70'), - multi=False) variant('cuda_arch_35_k20x', default=False, description=('CP2K (resp. DBCSR) has specific parameter sets for' ' different GPU models. Enable this when building' @@ -41,19 +36,34 @@ class Dbcsr(CMakePackage, CudaPackage): depends_on('pkgconfig', type='build') depends_on('python@3.6:', type='build', when='+cuda') - conflicts('+cuda', when='cuda_arch=none') + # We only support specific cuda_archs for which we have parameter files + # for optimal kernels. Note that we don't override the cuda_archs property + # from the parent class, since the parent class defines constraints for all + # versions. Instead just mark all unsupported cuda archs as conflicting. + dbcsr_cuda_archs = ('35', '37', '60', '70') + cuda_msg = 'dbcsr only supports cuda_arch {0}'.format(dbcsr_cuda_archs) + + for arch in CudaPackage.cuda_arch_values: + if arch not in dbcsr_cuda_archs: + conflicts('+cuda', when='cuda_arch={0}'.format(arch), msg=cuda_msg) + + conflicts('+cuda', when='cuda_arch=none', msg=cuda_msg) generator = 'Ninja' depends_on('ninja@1.10:', type='build') def cmake_args(self): + spec = self.spec + + if len(spec.variants['cuda_arch'].value) > 1: + raise InstallError("dbcsr supports only one cuda_arch at a time") + if ('+openmp' in self.spec and '^openblas' in self.spec and '^openblas threads=openmp' not in self.spec): raise InstallError( '^openblas threads=openmp required for dbcsr+openmp') - spec = self.spec args = [ '-DUSE_SMM=%s' % ('libxsmm' if 'smm=libxsmm' in spec else 'blas'), '-DUSE_MPI=%s' % ('ON' if '+mpi' in spec else 'OFF'), @@ -70,7 +80,7 @@ class Dbcsr(CMakePackage, CudaPackage): ] if '+cuda' in self.spec: - cuda_arch = self.spec.variants['cuda_arch'].value + cuda_arch = self.spec.variants['cuda_arch'].value[0] gpuver = { '35': 'K40', |