new_contents: # Copyright 2013-2020 Lawrence Livermore National Security, LLC and other
  # Spack Project Developers. See the top-level COPYRIGHT file for details.
  #
  # SPDX-License-Identifier: (Apache-2.0 OR MIT)
  
  from spack import *
  
  
  class AutodockGpu(MakefilePackage):
      """AutoDock-GPU: AutoDock for GPUs and other accelerators.
      OpenCL and Cuda accelerated version of AutoDock 4.2.6. It
      leverages its embarrasingly parallelizable LGA by processing
      ligand-receptor poses in parallel over multiple compute units.
      """
  
      homepage = "https://ccsb.scripps.edu/autodock"
      git      = "https://github.com/ccsb-scripps/AutoDock-GPU.git"
  
      maintainers = ['RemiLacroix-IDRIS']
  
      version('develop', branch='develop')
  
      variant('device', default='cuda', description='Acceletor runtime',
              values=('cuda', 'oclgpu'), multi=False)
      variant('overlap', default=False, description='Overlap CPU and GPU operations')
  
      depends_on('cuda')
  
      @property
      def build_targets(self):
          spec = self.spec
          return [
              'DEVICE={0}'.format(spec.variants['device'].value.upper()),
              'GPU_INCLUDE_PATH={0}'.format(spec['cuda'].prefix.include),
              'GPU_LIBRARY_PATH={0}'.format(spec['cuda'].libs.directories[0]),
              'OVERLAP={0}'.format('ON' if '+overlap' in spec else 'OFF'),
          ]
  
      def install(self, spec, prefix):
          ignore_gitkeep = lambda p: p.endswith('.gitkeep')
          install_tree('bin', prefix.bin, ignore=ignore_gitkeep)
  
subject: Add new package: AutoDock-GPU. (#17808)