def get_entry_point_from_string(self, entry_point_string):
"""
Validate a given entry point string, which means that it should have a valid entry point string format
and that the entry point unambiguously corresponds to an entry point in the groups configured for this
instance of PluginParameterType.
:returns: the entry point if valid
:raises: ValueError if the entry point string is invalid
"""
group = None
name = None
entry_point_format = get_entry_point_string_format(entry_point_string)
if entry_point_format in (EntryPointFormat.FULL,
EntryPointFormat.PARTIAL):
group, name = entry_point_string.split(
ENTRY_POINT_STRING_SEPARATOR)
if entry_point_format == EntryPointFormat.PARTIAL:
group = ENTRY_POINT_GROUP_PREFIX + group
if group not in self.groups:
raise ValueError(
'entry point group {} is not supported by this parameter')
elif entry_point_format == EntryPointFormat.MINIMAL:
name = entry_point_string
matching_groups = [
group for group, entry_point in self._entry_points
if entry_point.name == name
]
if len(matching_groups) > 1:
raise ValueError(
"entry point '{}' matches more than one valid entry point group [{}], "
"please specify an explicit group prefix".format(
name, ' '.join(matching_groups)))
elif not matching_groups:
raise ValueError(
"entry point '{}' is not valid for any of the allowed "
"entry point groups: {}".format(name,
' '.join(self.groups)))
else:
group = matching_groups[0]
else:
ValueError('invalid entry point string format: {}'.format(
entry_point_string))
try:
entry_point = get_entry_point(group, name)
except (MissingEntryPointError, MultipleEntryPointError) as exception:
raise ValueError(exception)
return entry_point
def get_crystal_props_code(computer,
exec_path=DEFAULT_PPROPERTIES_PATH,
modules=('intel-suite/2016.3', 'mpi/intel-5.1')):
"""create a Code node for the CRYSTAL17 Properties code
Parameters
----------
computer : aiida.orm.Computer
exec_path : str
absolute path on the computer, to the properties executable
modules : list[str]
modules to load before execution
Returns
-------
aiida.orm.Code
"""
try:
code_props17 = Code.objects.get(label=_PROPS_CODE_LABEL)
except NotExistent:
code_builder = CodeBuilder(
**{
'label':
_PROPS_CODE_LABEL,
'description':
'The CRYSTAL17 PProperties code on CX1',
'code_type':
CodeBuilder.CodeType.ON_COMPUTER,
'computer':
computer,
'prepend_text':
'module load ' + ' '.join(modules),
'append_text':
'',
'input_plugin':
get_entry_point('aiida.calculations', 'crystal17.doss'),
'remote_abs_path':
exec_path
})
code_props17 = code_builder.new()
code_props17.store()
return code_props17