Is dft-siesta safe to install?

SaferSkills independently audited dft-siesta (Agent Skill) and scored it 100/100 (green). The audit ran 55 deterministic rules across Security, Supply Chain, Maintenance, Transparency, and Community; it found 0 high-severity and 0 lower-severity findings. The full rule-by-rule trace and per-finding evidence are below. Free, methodology-open.

CategoryWeightCategory scoreContribution

Securityprompt, exec, net, exfil, eval

35%

100

35.0 pts

Supply chainhash, typosquat, maintainer, lockfile

20%

100

20.0 pts

Maintenancestaleness, pinning, CI

15%

100

15.0 pts

TransparencySKILL.md, perms, README

15%

100

15.0 pts

Communityinstalls, verify, response

15%

100

15.0 pts

Findings & checks · 0 flagged

Securityscore 100 · 0 findings

✓—All security checks passedNo findings in this category for the latest scan.pass

Supply chainscore 100 · 0 findings

✓—All supply chain checks passedNo findings in this category for the latest scan.pass

Maintenancescore 100 · 0 findings

✓—All maintenance checks passedNo findings in this category for the latest scan.pass

Transparencyscore 100 · 0 findings

✓—All transparency checks passedNo findings in this category for the latest scan.pass

Communityscore 100 · 0 findings

✓—All community checks passedNo findings in this category for the latest scan.pass

The primary manifest — the file an agent reads to learn what this artifact does.

quantum-chemistry/dft-siesta/SKILL.md · 1 file

quantum-chemistry/dft-siesta/SKILL.md2.3 KB · Markdown

name: dft-siesta

description: Route SIESTA requests to task-specific subskills based on user intent. Use when the user asks for SIESTA workflows and you must decide between static, relaxation, molecular dynamics, or electronic-analysis preparation. This orchestration skill dispatches to the correct SIESTA subskill and enforces consistent handoff to submission skills.

compatibility: Requires a runnable SIESTA environment and compatible pseudopotential/basis setup for target elements.

license: MIT

metadata:

author: qqgu

version: 0.1.0

repository: https://gitlab.com/siesta-project/siesta

SIESTA Task Router

Use this skill as the top-level SIESTA orchestration layer.

Purpose

This skill routes requests to one task-specific SIESTA subskill path:

dft-siesta/static
dft-siesta/relax
dft-siesta/md
dft-siesta/electronic

Scope

This router skill should:

require user-provided structure or prerequisite context
classify request intent into one SIESTA task type
collect minimal shared context before dispatch
delegate detailed parameter handling to selected subskill
enforce consistent output/handoff policy across subskills

This router skill should not:

own detailed templates for all SIESTA tasks
execute or submit calculations
bypass subskill-specific guardrails

Hard requirement

The user must provide enough starting context:

structure input for static / relax / md
prerequisite converged context for electronic

If prerequisites are missing, stop and ask for them.

Routing rules

If user requests single-point SCF/energy: route to dft-siesta/static.
If user requests geometry optimization: route to dft-siesta/relax.
If user requests molecular dynamics: route to dft-siesta/md.
If user requests electronic analysis workflow: route to dft-siesta/electronic.
If intent is ambiguous, ask one focused clarification question before routing.

Shared policy for all subskills

do not invent missing pseudopotential files
expose assumptions and unresolved scientific choices explicitly
return handoff-ready task layout
if execution is requested, hand off to dpdisp-submit

Output from router

Provide:

selected subskill path
why it was selected
minimal missing inputs (if any)
explicit next step (invoke selected subskill)

dft-siesta— agent skill

Is dft-siesta safe to install?

SIESTA Task Router

Purpose

Scope

Hard requirement

Routing rules

Shared policy for all subskills

Output from router

Audit the pieces. Scan the whole. Decide.