'Use "localhost" when setting up the computer that AiiDA is running on',
)
DESCRIPTION = options.DESCRIPTION.clone(
prompt='Description', cls=InteractiveOption, help='A human-readable description of this computer.'
)
TRANSPORT = options.TRANSPORT.clone(prompt='Transport plugin', cls=InteractiveOption)
SCHEDULER = options.SCHEDULER.clone(prompt='Scheduler plugin', cls=InteractiveOption)
SHEBANG = OverridableOption(
'--shebang',
prompt='Shebang line (first line of each script, starting with #!)',
default='#!/bin/bash',
cls=InteractiveOption,
help=
'This line specifies the first line of the submission script for this computer (only the bash shell is supported).',
type=types.ShebangParamType()
)
WORKDIR = OverridableOption(
'-w',
'--work-dir',
prompt='Work directory on the computer',
default='/scratch/{username}/aiida/',
cls=InteractiveOption,
help='The absolute path of the directory on the computer where AiiDA will '
'run the calculations (often a "scratch" directory).'
'The {username} string will be replaced by your username on the remote computer.'
)
from aiida.cmdline.params.options.overridable import OverridableOption
def is_on_computer(ctx):
return bool(ctx.params.get('on_computer'))
def is_not_on_computer(ctx):
return bool(not is_on_computer(ctx))
ON_COMPUTER = OverridableOption(
'--on-computer/--store-in-db',
is_eager=False,
default=True,
cls=InteractiveOption,
prompt='Installed on target computer?',
help=
'Whether the code is installed on the target computer, or should be copied to the target computer each time '
'from a local path.')
REMOTE_ABS_PATH = OverridableOption(
'--remote-abs-path',
prompt='Remote absolute path',
required_fn=is_on_computer,
prompt_fn=is_on_computer,
type=types.AbsolutePathParamType(dir_okay=False),
cls=InteractiveOption,
help=
'[if --on-computer]: Absolute path to the executable on the target computer.'
)
DESCRIPTION = options.DESCRIPTION.clone(
prompt='Description',
cls=InteractiveOption,
help='A human-readable description of this computer.')
TRANSPORT = options.TRANSPORT.clone(prompt='Transport plugin',
cls=InteractiveOption)
SCHEDULER = options.SCHEDULER.clone(prompt='Scheduler plugin',
cls=InteractiveOption)
SHEBANG = OverridableOption(
'--shebang',
prompt='Shebang line (first line of each script, starting with #!)',
default='#!/bin/bash',
cls=InteractiveOption,
help=
'This line specifies the first line of the submission script for this computer.',
type=types.ShebangParamType())
WORKDIR = OverridableOption(
'-w',
'--work-dir',
prompt='Work directory on the computer',
default='/scratch/{username}/aiida/',
cls=InteractiveOption,
help='The absolute path of the directory on the computer where AiiDA will '
'run the calculations (typically, the scratch of the computer). You '
'can use the {username} replacement, that will be replaced by your '
'username on the remote computer.')
DESCRIPTION = options.DESCRIPTION.clone(
prompt='Description',
cls=InteractiveOption,
help='A human-readable description of this computer.')
TRANSPORT = options.TRANSPORT.clone(prompt='Transport plugin',
cls=InteractiveOption)
SCHEDULER = options.SCHEDULER.clone(prompt='Scheduler plugin',
cls=InteractiveOption)
SHEBANG = OverridableOption(
'--shebang',
prompt='Shebang line (first line of each script, starting with #!)',
default='#!/bin/bash',
cls=InteractiveOption,
help=
'Specify the first line of the submission script for this computer (only the bash shell is supported).',
type=types.ShebangParamType())
WORKDIR = OverridableOption(
'-w',
'--work-dir',
prompt='Work directory on the computer',
default='/scratch/{username}/aiida/',
cls=InteractiveOption,
help='The absolute path of the directory on the computer where AiiDA will '
'run the calculations (often a "scratch" directory).'
'The {username} string will be replaced by your username on the remote computer.'
)
from aiida.cmdline.params.options.overridable import OverridableOption
def is_on_computer(ctx):
return bool(ctx.params.get('on_computer'))
def is_not_on_computer(ctx):
return bool(not is_on_computer(ctx))
ON_COMPUTER = OverridableOption(
'--on-computer/--store-in-db',
is_eager=False,
default=True,
cls=InteractiveOption,
prompt='Installed on target computer?',
help=
'Whether the code is installed on the target computer or should be copied each time from a local path.'
)
REMOTE_ABS_PATH = OverridableOption(
'--remote-abs-path',
prompt='Remote absolute path',
required_fn=is_on_computer,
prompt_fn=is_on_computer,
type=types.AbsolutePathParamType(dir_okay=False),
cls=InteractiveOption,
help=
('[if --on-computer]: the absolute path to the executable on the remote machine.'
))
from aiida.common.datastructures import calc_states
return tuple(state for state in calc_states)
def active_process_states():
"""Return a list of process states that are considered active."""
from plumpy import ProcessState
return ([
ProcessState.CREATED.value,
ProcessState.WAITING.value,
ProcessState.RUNNING.value,
])
CALCULATION = OverridableOption(
'-C', '--calculation', 'calculation',
type=types.CalculationParamType(),
help='A single calculation identified by its ID or UUID.')
CALCULATIONS = OverridableOption(
'-C', '--calculations', 'calculations',
type=types.CalculationParamType(), cls=MultipleValueOption,
help='One or multiple calculations identified by their ID or UUID.')
CODE = OverridableOption(
'-X', '--code', 'code',
type=types.CodeParamType(),
help='A single code identified by its ID, UUID or label.')
CODES = OverridableOption(
'-X', '--codes', 'codes',
type=types.CodeParamType(), cls=MultipleValueOption,