Support forward files for init_surf

[HuangJiameng]

Support user use "forward_files" in machine parameters to upload other files besides POSCAR, INCAR, POTCAR. (forwarded files for each task)

[codecov-commenter]

Codecov Report

Merging #909 (0065cdb) into devel (fdc0622) will increase coverage by 0.08%.
The diff coverage is 12.50%.

@@            Coverage Diff             @@
##            devel     #909      +/-   ##
==========================================
+ Coverage   38.14%   38.23%   +0.08%     
==========================================
  Files          99       99              
  Lines       17766    17803      +37     
==========================================
+ Hits         6777     6807      +30     
- Misses      10989    10996       +7     

Impacted Files	Coverage Δ
dpgen/data/surf.py	66.46% <12.50%> (-0.87%)	⬇️
dpgen/generator/arginfo.py	100.00% <0.00%> (ø)

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[njzjz]

Isn't it user_forward_files?

[HuangJiameng]

It is forward_files in machine parameters. https://docs.deepmodeling.com/projects/dpdispatcher/en/latest/task.html#argument:task/forward_files
Am I understanding it wrong？

[njzjz]

I think it's this feature:

dpgen/dpgen/generator/run.py

Lines 580 to 582 in 5dc7c1b

	user_forward_files = mdata.get("train" + "_user_forward_files", [])
	forward_files += [os.path.basename(file) for file in user_forward_files]
	backward_files += mdata.get("train" + "_user_backward_files", [])

Indeed we should not maintain it everywhere... Create a method instead.

[HuangJiameng]

I think it's this feature:

dpgen/dpgen/generator/run.py

Lines 580 to 582 in 5dc7c1b

	user_forward_files = mdata.get("train" + "_user_forward_files", [])
	forward_files += [os.path.basename(file) for file in user_forward_files]
	backward_files += mdata.get("train" + "_user_backward_files", [])

Indeed we should not maintain it everywhere... Create a method instead.

In contrast, I think it is more reasonable to put symlinks in the task path for paths in "forward_files". Otherwise the user should pile everything in the main directory. Besides, should we keep the same parameter name "forward_files" with dpdispatcher?

[njzjz]

I think it's this feature:

dpgen/dpgen/generator/run.py

Lines 580 to 582 in 5dc7c1b

	user_forward_files = mdata.get("train" + "_user_forward_files", [])
	forward_files += [os.path.basename(file) for file in user_forward_files]
	backward_files += mdata.get("train" + "_user_backward_files", [])

Indeed we should not maintain it everywhere... Create a method instead.

In contrast, I think it is more reasonable to put symlinks in the task path for paths in "forward_files". Otherwise the user should pile everything in the main directory. Besides, should we keep the same parameter name "forward_files" with dpdispatcher?

I don't understand what you mean. The old codes also make symbolic links.

Making an alias is fine, but the old name should be kept for compatibility.

[njzjz]

Why not directly set the format as surf-*/sys-*

[HuangJiameng]

Because surf-* seems to align with the meaning of work_path.