[Code scan] Make bundled simplify skill templates schema-valid

[njzjz]

This issue is from a Codex global scan of the repository.

Some bundled skills/dpgen-simplify templates do not validate against DP-GEN's simplify inputs, so following the skill can produce invalid configuration files.

Evidence:

dpgen/skills/dpgen-simplify/assets/param.example.qm7.from-official-docs.json

Lines 17 to 23 in 7af5246

	"pick_data": "/path/to/qm7/deepmd_npy",
	"init_data_prefix": "",
	"init_data_sys": [],
	"sys_batch_size": [
	"auto"
	],
	"numb_models": 4,

dpgen/skills/dpgen-simplify/assets/param.example.qm7.from-official-docs.json

Lines 89 to 95 in 7af5246

	"fp_style": "gaussian",
	"shuffle_poscar": false,
	"fp_task_max": 1000,
	"fp_task_min": 10,
	"fp_pp_path": "/path/to/fp/support/files",
	"fp_pp_files": [],
	"fp_params": {

dpgen/skills/dpgen-simplify/assets/machine.template.local-shell.json

Lines 4 to 17 in 7af5246

	"train": {
	"command": "dp",
	"machine": {
	"batch_type": "Shell",
	"context_type": "LazyLocalContext",
	"local_root": "./",
	"remote_root": "./"
	},
	"resources": {
	"number_node": 1,
	"cpu_per_node": null,
	"gpu_per_node": null,
	"group_size": 1
	}

dpgen/skills/dpgen-simplify/assets/machine.template.local-shell.json

Lines 34 to 47 in 7af5246

	"fp": {
	"command": null,
	"machine": {
	"batch_type": "Shell",
	"context_type": "LazyLocalContext",
	"local_root": "./",
	"remote_root": "./"
	},
	"resources": {
	"number_node": 1,
	"cpu_per_node": null,
	"gpu_per_node": null,
	"group_size": 1
	}

The QM7 parameter example omits required simplify fields such as sys_configs and includes keys rejected by the simplify schema, including shuffle_poscar and VASP-style pseudopotential fields for a Gaussian example. The local-shell machine template puts batch_type under machine, while DP-GEN's current dispatcher schema expects batch_type in the resources block for these machine definitions.

Expected behavior: update the skill assets so they pass simplify_jdata_arginfo() / simplify machine validation before recommending them to users.