[BUG] 'get_abacus_STRU' is not consistent with 'get_coords' in 'dpdata/abacus/scf.py'

[AsymmetryChou]

Bug summary

When I run DP-GEN using abacus for fp, an error exits:
File "/opt/deepmd-kit-2.2.1/envs/dpmd/lib/python3.8/site-packages/dpgen/generator/lib/abacus_scf.py", line 364, in get_abacus_STRU atom_names, natoms, types, coords = get_coords(celldm, cell, geometry_inlines) ValueError: too many values to unpack (expected 4)

get_coords, the function in dpdata, output the following variables(corresponding to the version in Github-Master ):
return atom_names, atom_numbs, atom_types, coords, move, mags

Evidently, they are not consistent. 4 variables in DPGEN, but 6 variables in dpdata.

It seems that there is a Version Conflict?

The version info:

DP-GEN Version

0.11.1

Platform, Python Version, Remote Platform, etc

No response

Input Files, Running Commands, Error Log, etc.

Error Log:
Traceback (most recent call last): File "/opt/deepmd-kit-2.2.1/envs/dpmd/bin/dpgen", line 8, in <module> sys.exit(main()) File "/opt/deepmd-kit-2.2.1/envs/dpmd/lib/python3.8/site-packages/dpgen/main.py", line 233, in main args.func(args) File "/opt/deepmd-kit-2.2.1/envs/dpmd/lib/python3.8/site-packages/dpgen/generator/run.py", line 5109, in gen_run run_iter(args.PARAM, args.MACHINE) File "/opt/deepmd-kit-2.2.1/envs/dpmd/lib/python3.8/site-packages/dpgen/generator/run.py", line 4458, in run_iter make_fp(ii, jdata, mdata) File "/opt/deepmd-kit-2.2.1/envs/dpmd/lib/python3.8/site-packages/dpgen/generator/run.py", line 3520, in make_fp make_fp_abacus_scf(iter_index, jdata) File "/opt/deepmd-kit-2.2.1/envs/dpmd/lib/python3.8/site-packages/dpgen/generator/run.py", line 3298, in make_fp_abacus_scf _link_fp_abacus_pporb_descript(iter_index, jdata) File "/opt/deepmd-kit-2.2.1/envs/dpmd/lib/python3.8/site-packages/dpgen/generator/run.py", line 3052, in _link_fp_abacus_pporb_descript stru_param = get_abacus_STRU("STRU") File "/opt/deepmd-kit-2.2.1/envs/dpmd/lib/python3.8/site-packages/dpgen/generator/lib/abacus_scf.py", line 364, in get_abacus_STRU atom_names, natoms, types, coords = get_coords(celldm, cell, geometry_inlines) ValueError: too many values to unpack (expected 4)

Steps to Reproduce

run DP-GEN in Bohrium notebook 从 DFT 到 MD｜超详细「深度势能」材料计算上手指南.

In charpter 4 : dpgen run param_abacus.json machine.json

Further Information, Files, and Links

No response

[njzjz]

@pxlxingliang It seems to me that the private API should not be used. Or if it is a public API, there should be no breaking change.

[pxlxingliang]

@pxlxingliang It seems to me that the private API should not be used. Or if it is a public API, there should be no breaking change.

We should not use this dpdata API, I will fix this bug.