def get_aiida_class(self):
from aiida.backends.djsite.db.models import DbComputer as DjangoSchemaDbComputer
djcomputer = DjangoSchemaDbComputer(
id=self.id,
uuid=self.uuid,
name=self.name,
hostname=self.hostname,
description=self.description,
enabled=self.enabled,
transport_type=self.transport_type,
scheduler_type=self.scheduler_type,
transport_params=self.transport_params,
metadata=self._metadata)
return djcomputer.get_aiida_class()
def __init__(self, **kwargs):
super(Computer, self).__init__()
uuid = kwargs.pop('uuid', None)
if uuid is not None:
if kwargs:
raise ValueError("If you pass a uuid, you cannot pass any "
"further parameter")
try:
dbcomputer = DbComputer.objects.get(uuid=uuid)
except ObjectDoesNotExist:
raise NotExistent("No entry with UUID={} found".format(uuid))
self._dbcomputer = dbcomputer
else:
if 'dbcomputer' in kwargs:
dbcomputer = kwargs.pop('dbcomputer')
if not (isinstance(dbcomputer, DbComputer)):
raise TypeError("dbcomputer must be of type DbComputer")
self._dbcomputer = dbcomputer
if kwargs:
raise ValueError("If you pass a dbcomputer parameter, "
"you cannot pass any further parameter")
else:
self._dbcomputer = DbComputer()
# Set all remaining parameters, stop if unknown
self.set(**kwargs)
def set_computer(self, computer):
from aiida.backends.djsite.db.models import DbComputer
if self._to_be_stored:
self.dbnode.dbcomputer = DbComputer.get_dbcomputer(computer)
else:
raise ModificationNotAllowed(
"Node with uuid={} was already stored".format(self.uuid))
def get_dbauthinfo(computer, aiidauser):
"""
Given a computer and a user, returns a DbAuthInfo object
:param computer: a computer (can be a string, Computer or DbComputer instance)
:param aiidauser: a user, can be a DbUser or a User instance
:return: a DbAuthInfo instance
:raise NotExistent: if the user is not configured to use computer
:raise sqlalchemy.orm.exc.MultipleResultsFound: if the user is configured
more than once to use the computer! Should never happen
"""
from aiida.common.exceptions import InternalError
if settings.BACKEND == BACKEND_DJANGO:
from aiida.backends.djsite.db.models import DbComputer, DbAuthInfo, DbUser
from django.core.exceptions import (ObjectDoesNotExist,
MultipleObjectsReturned)
try:
authinfo = DbAuthInfo.objects.get(
# converts from name, Computer or DbComputer instance to
# a DbComputer instance
dbcomputer=DbComputer.get_dbcomputer(computer),
aiidauser=aiidauser.id)
except ObjectDoesNotExist:
raise NotExistent(
"The aiida user {} is not configured to use computer {}".
format(aiidauser.email, computer.name))
except MultipleObjectsReturned:
raise ConfigurationError(
"The aiida user {} is configured more than once to use "
"computer {}! Only one configuration is allowed".format(
aiidauser.email, computer.name))
elif settings.BACKEND == BACKEND_SQLA:
from aiida.backends.sqlalchemy.models.authinfo import DbAuthInfo
from aiida.backends.sqlalchemy import get_scoped_session
session = get_scoped_session()
from sqlalchemy.orm.exc import MultipleResultsFound, NoResultFound
try:
authinfo = session.query(DbAuthInfo).filter_by(
dbcomputer_id=computer.id,
aiidauser_id=aiidauser.id,
).one()
except NoResultFound:
raise NotExistent(
"The aiida user {} is not configured to use computer {}".
format(aiidauser.email, computer.name))
except MultipleResultsFound:
raise ConfigurationError(
"The aiida user {} is configured more than once to use "
"computer {}! Only one configuration is allowed".format(
aiidauser.email, computer.name))
else:
raise InternalError("unknown backend {}".format(settings.BACKEND))
return authinfo
def get_authinfo(computer, aiidauser):
if settings.BACKEND == BACKEND_DJANGO:
from aiida.backends.djsite.db.models import DbComputer, DbAuthInfo
from django.core.exceptions import (ObjectDoesNotExist,
MultipleObjectsReturned)
try:
authinfo = DbAuthInfo.objects.get(
# converts from name, Computer or DbComputer instance to
# a DbComputer instance
dbcomputer=DbComputer.get_dbcomputer(computer),
aiidauser=aiidauser)
except ObjectDoesNotExist:
raise AuthenticationError(
"The aiida user {} is not configured to use computer {}".
format(aiidauser.email, computer.name))
except MultipleObjectsReturned:
raise ConfigurationError(
"The aiida user {} is configured more than once to use "
"computer {}! Only one configuration is allowed".format(
aiidauser.email, computer.name))
elif settings.BACKEND == BACKEND_SQLA:
from aiida.backends.sqlalchemy.models.authinfo import DbAuthInfo
from aiida.backends.sqlalchemy import get_scoped_session
session = get_scoped_session()
from sqlalchemy.orm.exc import MultipleResultsFound, NoResultFound
try:
authinfo = session.query(DbAuthInfo).filter_by(
dbcomputer_id=computer.id,
aiidauser_id=aiidauser.id,
).one()
except NoResultFound:
raise AuthenticationError(
"The aiida user {} is not configured to use computer {}".
format(aiidauser.email, computer.name))
except MultipleResultsFound:
raise ConfigurationError(
"The aiida user {} is configured more than once to use "
"computer {}! Only one configuration is allowed".format(
aiidauser.email, computer.name))
else:
raise Exception("unknown backend {}".format(settings.BACKEND))
return authinfo
def can_run_on(self, computer):
"""
Return True if this code can run on the given computer, False otherwise.
Local codes can run on any machine; remote codes can run only on the machine
on which they reside.
TODO: add filters to mask the remote machines on which a local code can run.
"""
from aiida.backends.djsite.db.models import DbComputer
if self.is_local():
return True
else:
dbcomputer = computer
if isinstance(dbcomputer, Computer):
dbcomputer = dbcomputer.dbcomputer
if not isinstance(dbcomputer, DbComputer):
raise ValueError(
"computer must be either a Computer or DbComputer object")
dbcomputer = DbComputer.get_dbcomputer(computer)
return (dbcomputer.pk == self.get_remote_computer().dbcomputer.pk)
def get(cls, computer):
from aiida.backends.djsite.db.models import DbComputer
return cls(dbcomputer=DbComputer.get_dbcomputer(computer))
def _set_db_computer(self, computer):
from aiida.backends.djsite.db.models import DbComputer
self.dbnode.dbcomputer = DbComputer.get_dbcomputer(computer)
class Computer(AbstractComputer):
@property
def uuid(self):
return unicode(self._dbcomputer.uuid)
@property
def pk(self):
return self.dbcomputer.pk
@property
def id(self):
return self.dbcomputer.pk
def __init__(self, **kwargs):
super(Computer, self).__init__()
uuid = kwargs.pop('uuid', None)
if uuid is not None:
if kwargs:
raise ValueError("If you pass a uuid, you cannot pass any "
"further parameter")
try:
dbcomputer = DbComputer.objects.get(uuid=uuid)
except ObjectDoesNotExist:
raise NotExistent("No entry with UUID={} found".format(uuid))
self._dbcomputer = dbcomputer
else:
if 'dbcomputer' in kwargs:
dbcomputer = kwargs.pop('dbcomputer')
if not (isinstance(dbcomputer, DbComputer)):
raise TypeError("dbcomputer must be of type DbComputer")
self._dbcomputer = dbcomputer
if kwargs:
raise ValueError("If you pass a dbcomputer parameter, "
"you cannot pass any further parameter")
else:
self._dbcomputer = DbComputer()
# Set all remaining parameters, stop if unknown
self.set(**kwargs)
def set(self, **kwargs):
for k, v in kwargs.iteritems():
try:
method = getattr(self, 'set_{}'.format(k))
except AttributeError:
raise ValueError("Unable to set '{0}', no set_{0} method "
"found".format(k))
if not isinstance(method, collections.Callable):
raise ValueError("Unable to set '{0}', set_{0} is not "
"callable!".format(k))
method(v)
@classmethod
def list_names(cls):
from aiida.backends.djsite.db.models import DbComputer
return list(DbComputer.objects.filter().values_list('name', flat=True))
@property
def full_text_info(self):
ret_lines = []
ret_lines.append("Computer name: {}".format(self.name))
ret_lines.append(" * PK: {}".format(self.pk))
ret_lines.append(" * UUID: {}".format(self.uuid))
ret_lines.append(" * Description: {}".format(self.description))
ret_lines.append(" * Hostname: {}".format(self.hostname))
ret_lines.append(" * Enabled: {}".format(
"True" if self.is_enabled() else "False"))
ret_lines.append(" * Transport type: {}".format(
self.get_transport_type()))
ret_lines.append(" * Scheduler type: {}".format(
self.get_scheduler_type()))
ret_lines.append(" * Work directory: {}".format(self.get_workdir()))
ret_lines.append(" * Shebang: {}".format(self.get_shebang()))
ret_lines.append(" * mpirun command: {}".format(" ".join(
self.get_mpirun_command())))
def_cpus_machine = self.get_default_mpiprocs_per_machine()
if def_cpus_machine is not None:
ret_lines.append(
" * Default number of cpus per machine: {}".format(
def_cpus_machine))
ret_lines.append(" * Used by: {} nodes".format(
len(self.dbcomputer.dbnodes.all())))
ret_lines.append(" * prepend text:")
if self.get_prepend_text().strip():
for l in self.get_prepend_text().split('\n'):
ret_lines.append(" {}".format(l))
else:
ret_lines.append(" # No prepend text.")
ret_lines.append(" * append text:")
if self.get_append_text().strip():
for l in self.get_append_text().split('\n'):
ret_lines.append(" {}".format(l))
else:
ret_lines.append(" # No append text.")
return "\n".join(ret_lines)
@property
def to_be_stored(self):
return (self._dbcomputer.pk is None)
@classmethod
def get(cls, computer):
from aiida.backends.djsite.db.models import DbComputer
return cls(dbcomputer=DbComputer.get_dbcomputer(computer))
def copy(self):
from aiida.backends.djsite.db.models import DbComputer
if self.to_be_stored:
raise InvalidOperation(
"You can copy a computer only after having stored it")
newdbcomputer = DbComputer.objects.get(pk=self.pk)
newdbcomputer.pk = None
newobject = self.__class__(dbcomputer=newdbcomputer)
return newobject
@property
def dbcomputer(self):
"""
Return the DbComputer. If already saved, reloads it from the DB.
:return: Return the DbComputer
"""
if self._dbcomputer.pk:
self._dbcomputer = DbComputer.objects.get(pk=self._dbcomputer.pk)
return self._dbcomputer
def store(self):
# if self.to_be_stored:
# As a first thing, I check if the data is valid
self.validate()
try:
# transactions are needed here for Postgresql:
# https://docs.djangoproject.com/en/1.5/topics/db/transactions/#handling-exceptions-within-postgresql-transactions
sid = transaction.savepoint()
self._dbcomputer.save()
transaction.savepoint_commit(sid)
except IntegrityError:
transaction.savepoint_rollback(sid)
raise ValueError(
"Integrity error, probably the hostname already exists in the"
" DB")
# This is useful because in this way I can do
# c = Computer().store()
return self
@property
def name(self):
return self.dbcomputer.name
@property
def description(self):
return self.dbcomputer.description
@property
def hostname(self):
return self.dbcomputer.hostname
def _get_metadata(self):
return json.loads(self.dbcomputer.metadata)
def _set_metadata(self, metadata_dict):
# When setting, use the uncached _dbcomputer
# if not self.to_be_stored:
# raise ModificationNotAllowed("Cannot set a property after having stored the entry")
self._dbcomputer.metadata = json.dumps(metadata_dict)
if not self.to_be_stored:
self._dbcomputer.save()
def get_transport_params(self):
try:
return json.loads(self.dbcomputer.transport_params)
except ValueError:
raise DbContentError(
"Error while reading transport_params for computer {}".format(
self.hostname))
def set_transport_params(self, val):
# When setting, use the uncached _dbcomputer
# if self.to_be_stored:
try:
self._dbcomputer.transport_params = json.dumps(val)
except ValueError:
raise ValueError("The set of transport_params are not JSON-able")
if not self.to_be_stored:
self._dbcomputer.save()
def get_workdir(self):
try:
return self.dbcomputer.get_workdir()
except ConfigurationError:
# This happens the first time: I provide a reasonable default value
return "/scratch/{username}/aiida_run/"
def get_shebang(self):
try:
return self.dbcomputer.get_shebang()
except ConfigurationError:
# This happens the first time: I provide a reasonable default value
return "#!/bin/bash"
def set_workdir(self, val):
# if self.to_be_stored:
if not isinstance(val, basestring):
raise ValueError(
"Computer work directory needs to be string, got {}".format(
val))
metadata = self._get_metadata()
metadata['workdir'] = val
self._set_metadata(metadata)
def get_name(self):
return self.dbcomputer.name
def set_name(self, val):
# When setting, use the uncached _dbcomputer
self._dbcomputer.name = val
if not self.to_be_stored:
self._dbcomputer.save()
def get_hostname(self):
return self.dbcomputer.hostname
def set_hostname(self, val):
# When setting, use the uncached _dbcomputer
self._dbcomputer.hostname = val
if not self.to_be_stored:
self._dbcomputer.save()
def get_description(self):
return self.dbcomputer.description
def set_description(self, val):
# When setting, use the uncached _dbcomputer
self._dbcomputer.description = val
if not self.to_be_stored:
self._dbcomputer.save()
def get_calculations_on_computer(self):
from aiida.backends.djsite.db.models import DbNode
return DbNode.objects.filter(dbcomputer__name=self.name,
type__startswith='calculation')
def is_enabled(self):
return self.dbcomputer.enabled
def set_enabled_state(self, enabled):
"""
Set the enabled state.
:param enabled: the new state
"""
# When setting, use the uncached _dbcomputer
self._dbcomputer.enabled = enabled
if not self.to_be_stored:
self._dbcomputer.save()
def get_scheduler_type(self):
return self.dbcomputer.scheduler_type
def set_scheduler_type(self, val):
# When setting, use the uncached _dbcomputer
self._dbcomputer.scheduler_type = val
if not self.to_be_stored:
self._dbcomputer.save()
def get_transport_type(self):
return self.dbcomputer.transport_type
def set_transport_type(self, val):
# When setting, use the uncached _dbcomputer
self._dbcomputer.transport_type = val
if not self.to_be_stored:
self._dbcomputer.save()
