Loading bin/build_namd.py +29 −0 Original line number Diff line number Diff line Loading @@ -22,8 +22,11 @@ import argparse # Needed for parsing command line arguments. # Local imports from loggerutils.logger import create_logger_description from loggerutils.logger import create_logger import namd_machine_registrations def main(): mr = _register_machines_buildtargets() args = _parse_arguments() logger = create_logger(log_id='Default', Loading Loading @@ -53,9 +56,35 @@ def _parse_arguments(): default=logging.WARNING, help=create_logger_description() ) # Adding mandatory argument group. mandatory_args_group = my_parser.add_argument_group(title="Mandatory Arguments") mandatory_args_group.add_argument("--machine-name", help="The name of the machine on which the sotware will be installed.", required=True, type=str, metavar='<machine name>') mandatory_args_group.add_argument("--target-build", help="The NAMD build target.", required=True, type=str, metavar='<target build>') my_args = my_parser.parse_args() return my_args def _register_machines_buildtargets(): # Register Crusher reg_mach = namd_machine_registrations.NamdBuildRegister() builder1 = lambda x,y : print(f"Building {y} on {x}") namd_machine_registrations.register_new_machine(reg_mach,'Crusher') namd_machine_registrations.register_new_build(reg_mach,machine_name='Crusher',build_target='Multicore',builder=builder1) namd_machine_registrations.build_software(reg_mach,machine_name='Crusher',build_target="Multicore") return reg_mach if __name__ == "__main__": main() bin/lib/__init__.py +2 −1 Original line number Diff line number Diff line Loading @@ -2,4 +2,5 @@ __all__ = ["lmod_interface", "loggerutils", "pathoption"] "pathoption", "namd_machine_registration"] bin/lib/namd_machine_registrations.py 0 → 100644 +140 −0 Original line number Diff line number Diff line #! /usr/bin/env python3 """Convenience module for registering new machine builds. The fuction register_new_machine registers a new machine. The fuction register_new_build registers a new build. """ # System imports # Local imports def register_new_machine(reg_builder,machine_name=''): """Registers a new machine to build NAMD. Registers 'machine_name' for building NAMD. Registering the same machine more than once hase no effect on reg_builder. Args: reg_builder (NamdBuildRegister) : An instance of class NamdBuildRegister. machine_name (str) : The name of the machine being registered. Returns: A machine that has registered machine "machine_name". """ reg_builder.register_machine(machine_name) return def register_new_build(reg_builder,machine_name='',build_target='',builder=''): """Registers a new build target for machine 'machine_name'. Registers 'machine_name' for building NAMD target 'build_target' Registering the same machine and build target more than once hase no effect on reg_builder. Args: reg_builder (NamdBuildRegister) : An instance of class NamdBuildRegister. machine_name (str) : The name of the machine being registered. build_target (str) : The name of the NAMD build target. builder (function referece) : A callable object that will build NAMD. Returns: A machine that has registered machine "machine_name". """ print( f"Registering build target: {machine_name}, {build_target}." ) reg_builder.add_buildtarget(machine_name=machine_name,build_target=build_target,builder=builder) return reg_builder def build_software(reg_builder,machine_name='',build_target=''): """ """ reg_builder.build(machine_name=machine_name,build_target=build_target) return class NamdBuildRegister(): """Stores the machines and machine registrations for building NAMD. Attributes: _machine_names : A array that stores the NAMD machine names. _builder : An dict of callable objects. The dict is a nested dict such that to access the builder for machine_name and build_target, one does self._builder[machine_name][build_target] """ def __init__(self): self._machine_names = [] self._builder = {} def register_machine(self,machine_name): """Adds a machine for registration If the machine already exists then nothing is done. Args: machine_name (str) : The machine name. """ if not ( machine_name in self._machine_names ) : print( f"Registering {machine_name}." ) self._machine_names += [machine_name] self._builder[machine_name] = {} return def unregister_machine(self,machine_name): """Removes machine machine_name If the machine already removed then nothing is done. Args: machine_name (str) : The machine name. """ if machine_name in self._machine_names : self._machine_names.pop(machine_name) self._builder.pop(machine_name) def add_buildtarget(self,machine_name,builder,build_target): """Adds a new build target The build target must not previously exist. Args: machine_name (str) : The name of the machine builder (callable object) : When innvoked, builds namd for the desired target. build_target (str) : The NAMD build target. """ # First verify that the machine is registered. if not ( machine_name in self._machine_names ) : msg = ( f'Error! The nachine "{machine_name}" is not registered.' ) raise ValueError(msg) # Verify that the build_target is not previously registered if build_target in self._builder[machine_name] : msg = ( f'Error! The build target "{build_target}" for "{machine_name}"' f' is previously registered.' ) raise ValueError(msg) self._builder[machine_name][build_target] = builder return def remove_buildtarget(self,machine_name,build_target): """Removes a build target of machine machine_name Args: machine_name (str) : The name of the machine build_target (str) : The NAMD build target. """ if machine_name in self._machine_names : if build_target in self._builder[_machine_name] : self._builder[machine_name].pop(build_target,'') return def build(self,machine_name,build_target): """ """ self._builder[machine_name][build_target](machine_name,build_target) return bin/lib/pathoption.py +1 −2 Original line number Diff line number Diff line Loading @@ -2,9 +2,8 @@ The function create_pathoption returns an PathOption object. The function register_pathoption registers a new path option permmited value and the The function register_pathoption registers a new path option permitted value and the corresponding function reference. """ import errors_pathoption Loading Loading
bin/build_namd.py +29 −0 Original line number Diff line number Diff line Loading @@ -22,8 +22,11 @@ import argparse # Needed for parsing command line arguments. # Local imports from loggerutils.logger import create_logger_description from loggerutils.logger import create_logger import namd_machine_registrations def main(): mr = _register_machines_buildtargets() args = _parse_arguments() logger = create_logger(log_id='Default', Loading Loading @@ -53,9 +56,35 @@ def _parse_arguments(): default=logging.WARNING, help=create_logger_description() ) # Adding mandatory argument group. mandatory_args_group = my_parser.add_argument_group(title="Mandatory Arguments") mandatory_args_group.add_argument("--machine-name", help="The name of the machine on which the sotware will be installed.", required=True, type=str, metavar='<machine name>') mandatory_args_group.add_argument("--target-build", help="The NAMD build target.", required=True, type=str, metavar='<target build>') my_args = my_parser.parse_args() return my_args def _register_machines_buildtargets(): # Register Crusher reg_mach = namd_machine_registrations.NamdBuildRegister() builder1 = lambda x,y : print(f"Building {y} on {x}") namd_machine_registrations.register_new_machine(reg_mach,'Crusher') namd_machine_registrations.register_new_build(reg_mach,machine_name='Crusher',build_target='Multicore',builder=builder1) namd_machine_registrations.build_software(reg_mach,machine_name='Crusher',build_target="Multicore") return reg_mach if __name__ == "__main__": main()
bin/lib/__init__.py +2 −1 Original line number Diff line number Diff line Loading @@ -2,4 +2,5 @@ __all__ = ["lmod_interface", "loggerutils", "pathoption"] "pathoption", "namd_machine_registration"]
bin/lib/namd_machine_registrations.py 0 → 100644 +140 −0 Original line number Diff line number Diff line #! /usr/bin/env python3 """Convenience module for registering new machine builds. The fuction register_new_machine registers a new machine. The fuction register_new_build registers a new build. """ # System imports # Local imports def register_new_machine(reg_builder,machine_name=''): """Registers a new machine to build NAMD. Registers 'machine_name' for building NAMD. Registering the same machine more than once hase no effect on reg_builder. Args: reg_builder (NamdBuildRegister) : An instance of class NamdBuildRegister. machine_name (str) : The name of the machine being registered. Returns: A machine that has registered machine "machine_name". """ reg_builder.register_machine(machine_name) return def register_new_build(reg_builder,machine_name='',build_target='',builder=''): """Registers a new build target for machine 'machine_name'. Registers 'machine_name' for building NAMD target 'build_target' Registering the same machine and build target more than once hase no effect on reg_builder. Args: reg_builder (NamdBuildRegister) : An instance of class NamdBuildRegister. machine_name (str) : The name of the machine being registered. build_target (str) : The name of the NAMD build target. builder (function referece) : A callable object that will build NAMD. Returns: A machine that has registered machine "machine_name". """ print( f"Registering build target: {machine_name}, {build_target}." ) reg_builder.add_buildtarget(machine_name=machine_name,build_target=build_target,builder=builder) return reg_builder def build_software(reg_builder,machine_name='',build_target=''): """ """ reg_builder.build(machine_name=machine_name,build_target=build_target) return class NamdBuildRegister(): """Stores the machines and machine registrations for building NAMD. Attributes: _machine_names : A array that stores the NAMD machine names. _builder : An dict of callable objects. The dict is a nested dict such that to access the builder for machine_name and build_target, one does self._builder[machine_name][build_target] """ def __init__(self): self._machine_names = [] self._builder = {} def register_machine(self,machine_name): """Adds a machine for registration If the machine already exists then nothing is done. Args: machine_name (str) : The machine name. """ if not ( machine_name in self._machine_names ) : print( f"Registering {machine_name}." ) self._machine_names += [machine_name] self._builder[machine_name] = {} return def unregister_machine(self,machine_name): """Removes machine machine_name If the machine already removed then nothing is done. Args: machine_name (str) : The machine name. """ if machine_name in self._machine_names : self._machine_names.pop(machine_name) self._builder.pop(machine_name) def add_buildtarget(self,machine_name,builder,build_target): """Adds a new build target The build target must not previously exist. Args: machine_name (str) : The name of the machine builder (callable object) : When innvoked, builds namd for the desired target. build_target (str) : The NAMD build target. """ # First verify that the machine is registered. if not ( machine_name in self._machine_names ) : msg = ( f'Error! The nachine "{machine_name}" is not registered.' ) raise ValueError(msg) # Verify that the build_target is not previously registered if build_target in self._builder[machine_name] : msg = ( f'Error! The build target "{build_target}" for "{machine_name}"' f' is previously registered.' ) raise ValueError(msg) self._builder[machine_name][build_target] = builder return def remove_buildtarget(self,machine_name,build_target): """Removes a build target of machine machine_name Args: machine_name (str) : The name of the machine build_target (str) : The NAMD build target. """ if machine_name in self._machine_names : if build_target in self._builder[_machine_name] : self._builder[machine_name].pop(build_target,'') return def build(self,machine_name,build_target): """ """ self._builder[machine_name][build_target](machine_name,build_target) return
bin/lib/pathoption.py +1 −2 Original line number Diff line number Diff line Loading @@ -2,9 +2,8 @@ The function create_pathoption returns an PathOption object. The function register_pathoption registers a new path option permmited value and the The function register_pathoption registers a new path option permitted value and the corresponding function reference. """ import errors_pathoption Loading
