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strict check simplify jdata #951

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merged 2 commits into from
Oct 3, 2022
Merged

strict check simplify jdata #951

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dc7c248
strict check simplify jdata
njzjz Sep 15, 2022
849b202
remove pretty_print
njzjz Sep 27, 2022
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12 changes: 4 additions & 8 deletions dpgen/simplify/simplify.py
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Original file line number Diff line number Diff line change
Expand Up @@ -22,14 +22,15 @@

from dpgen import dlog
from dpgen import SHORT_CMD
from dpgen.util import sepline, expand_sys_str
from dpgen.util import sepline, expand_sys_str, normalize
from distutils.version import LooseVersion
from dpgen.dispatcher.Dispatcher import Dispatcher, _split_tasks, make_dispatcher, make_submission
from dpgen.generator.run import make_train, run_train, post_train, run_fp, post_fp, fp_name, model_devi_name, train_name, train_task_fmt, sys_link_fp_vasp_pp, make_fp_vasp_incar, make_fp_vasp_kp, make_fp_vasp_cp_cvasp, data_system_fmt, model_devi_task_fmt, fp_task_fmt
# TODO: maybe the following functions can be moved to dpgen.util
from dpgen.generator.lib.utils import log_iter, make_iter_name, create_path, record_iter
from dpgen.generator.lib.gaussian import make_gaussian_input
from dpgen.remote.decide_machine import convert_mdata
from .arginfo import simplify_jdata_arginfo


picked_data_name = "data.picked"
Expand Down Expand Up @@ -413,13 +414,8 @@ def run_iter(param_file, machine_file):
with open(machine_file, 'r') as fp:
mdata = json.load(fp)

if jdata.get('pretty_print', False):
fparam = SHORT_CMD+'_' + \
param_file.split('.')[0]+'.'+jdata.get('pretty_format', 'json')
dumpfn(jdata, fparam, indent=4)
fmachine = SHORT_CMD+'_' + \
machine_file.split('.')[0]+'.'+jdata.get('pretty_format', 'json')
dumpfn(mdata, fmachine, indent=4)
jdata_arginfo = simplify_jdata_arginfo()
jdata = normalize(jdata_arginfo, jdata)

if mdata.get('handlers', None):
if mdata['handlers'].get('smtp', None):
Expand Down