def setup_code(non_interactive, **kwargs):
"""Setup a new code."""
from aiida.common.exceptions import ValidationError
from aiida.orm.utils.builders.code import CodeBuilder
if not non_interactive:
try:
pre, post = ensure_scripts(kwargs.pop('prepend_text', ''),
kwargs.pop('append_text', ''), kwargs)
except InputValidationError as exception:
raise click.BadParameter(
'invalid prepend and or append text: {}'.format(exception))
kwargs['prepend_text'] = pre
kwargs['append_text'] = post
if kwargs.pop('on_computer'):
kwargs['code_type'] = CodeBuilder.CodeType.ON_COMPUTER
else:
kwargs['code_type'] = CodeBuilder.CodeType.STORE_AND_UPLOAD
code_builder = CodeBuilder(**kwargs)
code = code_builder.new()
try:
code.store()
code.reveal()
except ValidationError as exception:
echo.echo_critical('Unable to store the Code: {}'.format(exception))
echo.echo_success('Code<{}> {} created'.format(code.pk, code.full_label))
def setup_code(non_interactive, **kwargs):
"""Add a Code."""
from aiida.common.exceptions import ValidationError
if not non_interactive:
pre, post = ensure_scripts(kwargs.pop('prepend_text', ''),
kwargs.pop('append_text', ''), kwargs)
kwargs['prepend_text'] = pre
kwargs['append_text'] = post
if kwargs.pop('on_computer'):
kwargs['code_type'] = CodeBuilder.CodeType.ON_COMPUTER
else:
kwargs['code_type'] = CodeBuilder.CodeType.STORE_AND_UPLOAD
code_builder = CodeBuilder(**kwargs)
code = code_builder.new()
try:
code.store()
code.reveal() # newly setup code shall not be hidden
except ValidationError as err:
echo.echo_critical(
'unable to store the code: {}. Exiting...'.format(err))
echo.echo_success('code "{}" stored in DB.'.format(code.label))
echo.echo_info('pk: {}, uuid: {}'.format(code.pk, code.uuid))
def computer_duplicate(ctx, computer, non_interactive, **kwargs):
"""Duplicate a computer allowing to change some parameters."""
from aiida import orm
from aiida.orm.utils.builders.computer import ComputerBuilder
if kwargs['label'] in get_computer_names():
echo.echo_critical('A computer called {} already exists'.format(
kwargs['label']))
if not non_interactive:
try:
pre, post = ensure_scripts(kwargs.pop('prepend_text', ''),
kwargs.pop('append_text', ''), kwargs)
except InputValidationError as exception:
raise click.BadParameter(
'invalid prepend and or append text: {}'.format(exception))
kwargs['prepend_text'] = pre
kwargs['append_text'] = post
kwargs['transport'] = kwargs['transport'].name
kwargs['scheduler'] = kwargs['scheduler'].name
computer_builder = ctx.computer_builder
for key, value in kwargs.items():
if value is not None:
setattr(computer_builder, key, value)
try:
computer = computer_builder.new()
except (ComputerBuilder.ComputerValidationError, ValidationError) as e:
echo.echo_critical('{}: {}'.format(type(e).__name__, e))
else:
echo.echo_success('stored computer {}<{}>'.format(
computer.name, computer.pk))
try:
computer.store()
except ValidationError as err:
echo.echo_critical(
'unable to store the computer: {}. Exiting...'.format(err))
else:
echo.echo_success('Computer<{}> {} created'.format(
computer.pk, computer.name))
is_configured = computer.is_user_configured(orm.User.objects.get_default())
if not is_configured:
echo.echo_info(
'Note: before the computer can be used, it has to be configured with the command:'
)
echo.echo_info(' verdi computer configure {} {}'.format(
computer.get_transport_type(), computer.name))
def computer_setup(ctx, non_interactive, **kwargs):
"""Create a new computer."""
from aiida.orm.utils.builders.computer import ComputerBuilder
if kwargs['label'] in get_computer_names():
echo.echo_critical(
'A computer called {c} already exists. '
'Use "verdi computer duplicate {c}" to set up a new '
'computer starting from the settings of {c}.'.format(
c=kwargs['label']))
if not non_interactive:
try:
pre, post = ensure_scripts(kwargs.pop('prepend_text', ''),
kwargs.pop('append_text', ''), kwargs)
except InputValidationError as exception:
raise click.BadParameter(
'invalid prepend and or append text: {}'.format(exception))
kwargs['prepend_text'] = pre
kwargs['append_text'] = post
kwargs['transport'] = kwargs['transport'].name
kwargs['scheduler'] = kwargs['scheduler'].name
computer_builder = ComputerBuilder(**kwargs)
try:
computer = computer_builder.new()
except (ComputerBuilder.ComputerValidationError, ValidationError) as e:
echo.echo_critical('{}: {}'.format(type(e).__name__, e))
try:
computer.store()
except ValidationError as err:
echo.echo_critical(
'unable to store the computer: {}. Exiting...'.format(err))
else:
echo.echo_success('Computer<{}> {} created'.format(
computer.pk, computer.name))
echo.echo_info(
'Note: before the computer can be used, it has to be configured with the command:'
)
echo.echo_info(' verdi computer configure {} {}'.format(
computer.get_transport_type(), computer.name))
def setup_computer(non_interactive, **kwargs):
"""Add a Computer."""
if kwargs['label'] in get_computer_names():
echo.echo_critical('A computer called {} already exists.\n'
'Use "verdi computer update" to update it, and be '
'careful if you really want to modify a database '
'entry!'.format(kwargs['label']))
if not non_interactive:
pre, post = ensure_scripts(kwargs.pop('prepend_text', ''),
kwargs.pop('append_text', ''), kwargs)
kwargs['prepend_text'] = pre
kwargs['append_text'] = post
kwargs['transport'] = kwargs['transport'].name
kwargs['scheduler'] = kwargs['scheduler'].name
computer_builder = ComputerBuilder(**kwargs)
try:
computer = computer_builder.new()
except (ComputerBuilder.ComputerValidationError, ValidationError) as e:
echo.echo_critical('{}: {}'.format(type(e).__name__, e))
try:
computer.store()
except ValidationError as err:
echo.echo_critical(
'unable to store the computer: {}. Exiting...'.format(err))
echo.echo_success('computer "{}" stored in DB.'.format(computer.name))
echo.echo_info('pk: {}, uuid: {}'.format(computer.pk, computer.uuid))
echo.echo_info(
"Note: before using it with AiiDA, configure it using the command")
echo.echo_info(" verdi computer configure {} {}".format(
computer.get_transport_type(), computer.name))
echo.echo_info(
"(Note: machine_dependent transport parameters cannot be set via ")
echo.echo_info("the command-line interface at the moment)")
def code_duplicate(ctx, code, non_interactive, **kwargs):
"""Duplicate a code allowing to change some parameters."""
from aiida.common.exceptions import ValidationError
from aiida.orm.utils.builders.code import CodeBuilder
if not non_interactive:
try:
pre, post = ensure_scripts(kwargs.pop('prepend_text', ''),
kwargs.pop('append_text', ''), kwargs)
except InputValidationError as exception:
raise click.BadParameter(
'invalid prepend and or append text: {}'.format(exception))
kwargs['prepend_text'] = pre
kwargs['append_text'] = post
if kwargs.pop('on_computer'):
kwargs['code_type'] = CodeBuilder.CodeType.ON_COMPUTER
else:
kwargs['code_type'] = CodeBuilder.CodeType.STORE_AND_UPLOAD
if kwargs.pop('hide_original'):
code.hide()
code_builder = ctx.code_builder
for key, value in kwargs.items():
if value is not None:
setattr(code_builder, key, value)
new_code = code_builder.new()
try:
new_code.store()
new_code.reveal()
except ValidationError as exception:
echo.echo_critical('Unable to store the Code: {}'.format(exception))
echo.echo_success('Code<{}> {} created'.format(new_code.pk,
new_code.full_label))
