def remotedata(self):
"""Create an remote data"""
from aiida.orm import RemoteData
rmd = RemoteData()
rmd.computer = self.localhost
rmd.set_remote_path(str(self._workdir))
return rmd
def _generate_remote_data(computer, remote_path, entry_point_name=None):
"""Generate a RemoteData node, loctated at remote_path"""
from aiida.common.links import LinkType
from aiida.orm import CalcJobNode, RemoteData
from aiida.plugins.entry_point import format_entry_point_string
entry_point = format_entry_point_string('aiida.calculations',
entry_point_name)
remote = RemoteData(remote_path=remote_path)
remote.computer = computer
if entry_point_name is not None:
creator = CalcJobNode(computer=computer, process_type=entry_point)
creator.set_option('resources', {
'num_machines': 1,
'num_mpiprocs_per_machine': 1
})
#creator.set_attribute('prefix', 'aiida')
remote.add_incoming(creator,
link_type=LinkType.CREATE,
link_label='remote_folder')
creator.store()
return remote
def _generate_remote_data(computer,
remote_path,
entry_point_name=None,
extras_root=[]):
"""Return a `KpointsData` with a mesh of npoints in each direction."""
from aiida.common.links import LinkType
from aiida.orm import CalcJobNode, RemoteData, Dict
from aiida.plugins.entry_point import format_entry_point_string
entry_point = format_entry_point_string('aiida.calculations',
entry_point_name)
remote = RemoteData(remote_path=remote_path)
remote.computer = computer
if entry_point_name is not None:
creator = CalcJobNode(computer=computer, process_type=entry_point)
creator.set_option('resources', {
'num_machines': 1,
'num_mpiprocs_per_machine': 1
})
remote.add_incoming(creator,
link_type=LinkType.CREATE,
link_label='remote_folder')
for extra in extras_root:
to_link = extra[0]
if isinstance(to_link, dict):
to_link = Dict(dict=to_link)
to_link.store()
creator.add_incoming(to_link,
link_type=LinkType.INPUT_CALC,
link_label=extra[1])
creator.store()
return remote
