[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.

[NKJunhongLi]

Hello, developers. Today I find that dpdata is upgraded to version 0.2.23 in pip. The bug of reading ABACUS STRU still exist. There are great changes in dpdata code. So many functions are modified and now it even occurs error during import ... when running dpgen. Maybe it is also necessary for updating the dpgen and apex-flow codes?