[Code scan] Parse ABACUS DeepKS flags before deciding required files

[njzjz]

This issue is a result of a Codex global code scan of deepmodeling/fpop at commit b05b337590c31a5237b2dcbd9c0833b841c08cd4.

Relevant code:

fpop/fpop/abacus.py

Lines 399 to 424 in b05b337

	def read_inputf(inputf: Union[str,Path]) -> dict:
	"""Read INPUT and transfer to a dict.
	Parameters
	----------
	inputf : str
	INPUT file name
	Returns
	-------
	dict[str,str]
	all input parameters
	"""
	input_context = {}
	with open(inputf) as f1: input_lines = f1.readlines()
	readinput = False
	for i,iline in enumerate(input_lines):
	if iline.strip() == 'INPUT_PARAMETERS':
	readinput = True
	elif iline.strip() == '' or iline.strip()[0] in ['#']:
	continue
	elif readinput:
	sline =re.split('[ \t]',iline.split("#")[0].strip(),maxsplit=1)
	if len(sline) == 2:
	input_context[sline[0].lower().strip()] = sline[1].strip()
	return input_context

fpop/fpop/abacus.py

Lines 466 to 493 in b05b337

	def write_deepks(self):
	"""Check if INPUT is a deepks job, if yes, will return the deepks descriptor file name,
	else will return None.
	Returns
	-------
	str
	deepks descriptor file name or None.
	"""
	need_descriptor = need_model = False
	if self._input.get("deepks_out_labels",False):
	need_descriptor = True
	if self._input.get("deepks_scf",False):
	need_descriptor = True
	need_model = True
	if need_descriptor:
	assert(self._deepks_descriptor != None)
	descriptor_file = self._deepks_descriptor[0]
	Path(descriptor_file).write_text(self._deepks_descriptor[1])
	else:
	descriptor_file = None
	if need_model:
	assert(self._deepks_model != None)
	Path(self._deepks_model[0]).write_bytes(self._deepks_model[1])
	return descriptor_file

Problem:
AbacusInputs.read_inputf() stores all INPUT values as strings. AbacusInputs.write_deepks() then checks those values directly in boolean conditions:

if self._input.get("deepks_out_labels", False):
    need_descriptor = True
if self._input.get("deepks_scf", False):
    need_descriptor = True
    need_model = True

Strings such as "0", "false", and "False" are truthy in Python, so an INPUT file that explicitly disables DeepKS can still force descriptor/model files and fail with an assertion.

Minimal reproduction:

INPUT_PARAMETERS
deepks_scf 0
deepks_out_labels 0

Constructing AbacusInputs(INPUT, {"H": "H.upf"}) and calling write_deepks() raises AssertionError because "0" is treated as enabled.

Expected behavior:
DeepKS switches should be parsed with ABACUS-compatible boolean semantics before write_deepks() decides whether descriptor or model files are required.