old_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 *
  import os
  
  
  class Modylas(AutotoolsPackage):
      """
      The 'MOlecular DYnamics Software for LArge Systems' (MODYLAS) is
      a general-purpose, molecular dynamics simulation program suited
      to the simulation of very large physical, chemical,
      and biological systems.
      """
  
      homepage = "https://www.modylas.org"
      url      = "file://{0}/MODYLAS_1.0.4.tar.gz".format(os.getcwd())
  
      version('1.0.4', 'e0b5cccf8e363c1182eced37aa31b06b1c5b1526da7d449a6142424ac4ea6311')
  
      variant('mpi', default=True, description='Enable MPI support')
  
      # to define MPIPARA when +mpi
      patch('makefile.patch')
      # fix no width I in format
      patch('gcc_format.patch', when='%gcc')
  
      depends_on('autoconf', type='build')
      depends_on('automake', type='build')
      depends_on('mpi', when='+mpi')
  
      build_directory = 'source'
      configure_directory = 'source'
  
      def setup_build_environment(self, env):
          if self.spec.satisfies('+mpi'):
              env.set('FC', self.spec['mpi'].mpifc, force=True)
          fflags = ['-O3', self.compiler.openmp_flag]
          if self.spec.satisfies('%gcc'):
              fflags.append('-cpp')
          env.set('FCFLAGS', ' '.join(fflags))
  
      def configure_args(self):
          return self.enable_or_disable('mpi')
  
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 *
  import os
  
  
  class Modylas(AutotoolsPackage):
      """
      The 'MOlecular DYnamics Software for LArge Systems' (MODYLAS) is
      a general-purpose, molecular dynamics simulation program suited
      to the simulation of very large physical, chemical,
      and biological systems.
      """
  
      homepage = "https://www.modylas.org"
      url      = "file://{0}/MODYLAS_1.0.4.tar.gz".format(os.getcwd())
  
      version('1.0.4', 'e0b5cccf8e363c1182eced37aa31b06b1c5b1526da7d449a6142424ac4ea6311')
  
      variant('mpi', default=True, description='Enable MPI support')
  
      # to define MPIPARA when +mpi
      patch('makefile.patch')
      # fix no width I in format
      patch('gcc_format.patch', when='%gcc')
  
      depends_on('autoconf', type='build')
      depends_on('automake', type='build')
      depends_on('mpi', when='+mpi')
  
      build_directory = 'source'
      configure_directory = 'source'
  
      def setup_build_environment(self, env):
          if self.spec.satisfies('+mpi'):
              env.set('FC', self.spec['mpi'].mpifc, force=True)
          fflags = ['-O3', self.compiler.openmp_flag]
          if self.spec.satisfies('%gcc'):
              fflags.append('-cpp')
          elif self.spec.satisfies('%fj'):
              fflags.append('-Cpp')
          env.set('FCFLAGS', ' '.join(fflags))
  
      def configure_args(self):
          return self.enable_or_disable('mpi')
  
subject: Add flag to use preprocessor when building with Fujitsu compiler. (#16598)