@delta-infra/cli 1.1.19 → 1.1.21

package/skills/delta-science/SKILL.md

@@ -1,227 +1,227 @@
----
-name: delta-science
-description: "The unified entry point for the company's online Science capabilities; all calls go through Delta CLI. Use this Skill for compound, CID, SMILES or molecular-property lookup; batch PubChem and RDKit enrichment; molecular descriptors or similarity; crystal, CIF or space-group parsing; cloud XRD phase identification or refinement; materials-table modelling or candidate recommendations; Quantum ESPRESSO/QE DFT; LAMMPS; Bayesian optimisation from experimental data; reaction-condition optimisation; and any LDM/discovery-model, KRAS G12D small-molecule generation and optimisation, fixed-pool/PDF2Dock trajectory, or antibody CDRH3 optimisation task. Do not use the retired large-discovery-model Skill, legacy gateway scripts, web search or local scientific libraries to bypass Delta CLI. Return text directly for ordinary lookups, comparisons or checks by default; do not add JSON/CSV, report, image or chart steps unless the user explicitly asks to save, export, plot or generate a file."
-metadata:
-  requires:
-    bins: ["delta-cli"]
-  cliHelp: "delta-cli science --help"
----
-
-# Delta Science
-
-Turn natural-language research tasks into the smallest number of verifiable Delta CLI Science
-calls. Expose only this Skill; select tools and operations, set parameters, hand off between tools,
-and validate results within this Skill.
-
-## Service-call boundary
-
-- Route all online Science operations through Delta CLI: use `delta-cli science invoke` for
-  read-only or JSON-compatible endpoints, `delta-cli science task` for calls with a persistent
-  lifecycle, and `delta-cli science file` for raw files or multipart requests.
-- Use the CLI's standard authentication and the Science service address derived from `base_url`
-  (`{base_url}/science_tool`). Do not rewrite service routing through environment variables,
-  command arguments or business URLs.
-- Do not use `curl`, `requests`, `httpx`, a browser or PowerShell web commands to access company
-  gateways or business-service URLs directly.
-- Do not present local RDKit, pymatgen, LAMMPS, BO, regression or sandbox results as Science
-  results. Local tools may be used for format conversion, file parsing or display, but state their
-  source clearly and keep them separate from CLI results.
-- Read the relevant reference before execution and use it to select the operation and request
-  fields. If the reference is missing, outdated or inconsistent with the current catalogue, you
-  may query the live catalogue. Never invent fields or enum values from memory.
-- `tools.name` and `tool_endpoints.name` are the sole authoritative call names. The tool and
-  endpoint passed to the CLI must exactly match the current database catalogue. The CLI does not
-  map aliases, strip prefixes, infer profiles or retry under a different name after `not_found`.
-  If a reference and the catalogue disagree, stop and report a configuration issue.
-- Report a call as successful only when the CLI subprocess exits with code 0 and the top-level
-  JSON `ok` is `true`. The CLI's top-level `data` contains the service response. Read fields only
-  according to the envelope and business structure in the relevant reference; do not search
-  recursively for plausible values or misreport business results such as `valid:false` as
-  transport failures.
-
-Template for JSON-compatible endpoints:
-
-```text
-delta-cli science invoke --tool TOOL --endpoint ENDPOINT \
-  [--data JSON] [--params JSON] [--path-params JSON] [--headers JSON]
-```
-
-If a tool-proxy endpoint declares path parameters, additional upstream headers or file fields, use
-`--path-params JSON`, `--headers JSON`, `--file PATH` (or `--file-base64 BASE64`), and the
-optional `--content-type MIME`. `--params` means URL query parameters only and cannot replace
-`--path-params`. These fields are forwarded as request-body
-fields to `/api/v1/tools/invoke`. `science file invoke` is a separate interface for QE/Materials
-Design file operations and cannot replace file uploads to tool-proxy endpoints.
-
-Template for persistent tasks:
-
-```text
-delta-cli science task submit --tool TOOL --operation OPERATION \
-  --input JSON --idempotency-key STABLE_KEY [--wait --timeout SECONDS]
-delta-cli science task get TASK_ID
-delta-cli science task cancel TASK_ID
-delta-cli science task invocations TASK_ID
-delta-cli science task artifacts TASK_ID
-```
-
-Template for file operations:
-
-```text
-delta-cli science file invoke --tool qe --endpoint artifact-upload \
-  --file structure.cif --data '{"name":"structure.cif","role":"structure"}'
-delta-cli science file invoke --tool materials-design --endpoint job-submit \
-  --file train.xlsx --candidate-file candidates.xlsx --data CONFIG_JSON
-delta-cli science file download --tool qe --endpoint artifact-content \
-  --params '{"artifact_id":"sha256:<digest>"}' --output result.bin
-```
-
-Use `--params JSON` only when the reference explicitly defines fields as query parameters. Do not
-concatenate JSON into command code; pass it as a single JSON argument using the calling
-environment's safe argument-passing mechanism.
-
-Controlled CLI adapters are available for Materials Design training-table multipart uploads,
-QE raw artifact/custom PP uploads, and `Idempotency-Key`. Pass files through a `science file` file
-flag, and pass idempotency keys through `science task submit --idempotency-key` or the dedicated
-flag for the file operation. Do not disguise local paths, base64 or headers as ordinary `--data`
-fields, and do not connect directly to the preflight Gateway.
-
-Call only the operations needed to meet the goal. Run cross-tool tasks in dependency order within
-the same Skill execution; downstream calls may use only verified business fields from the
-previous step. For a known tool, do not add health, schema, catalogue, render, descriptor or file
-calls by default. Make the minimum number of read-only calls only when the user requests them,
-diagnosis requires them, or the reference disagrees with the live catalogue.
-
-## Choose a tool
-
-| Research goal | tool | Reference |
-| --- | --- | --- |
-| Compound identity, CID, synonyms, public properties, name-to-SMILES conversion | `pubchem` | [pubchem.md](references/pubchem.md) |
-| SMILES/InChI, descriptors, fingerprints, similarity, rendering, substructure | `rdkit` | [rdkit.md](references/rdkit.md) |
-| Inorganic formulae, CIF/POSCAR, crystal structures, space groups | `pymatgen` | [pymatgen.md](references/pymatgen.md) |
-| Cloud XRD phase identification, XQueryer/XMatcher/XDecomposer, CIF simulation, MP500, artifacts and refinement jobs | `xrd` | [xrd.md](references/xrd.md) |
-| Direct GSAS-II simulation or refinement | `gsasii` | [gsasii.md](references/gsasii.md) |
-| Molecular dynamics, minimisation, thermo and output files | `lammps` | [lammps.md](references/lammps.md) |
-| General optimisation of numeric, integer or categorical experimental variables | `delta-bo` | [delta-bo.md](references/delta-bo.md) |
-| Materials-table surrogates, candidate spaces, EI/PI/UCB and asynchronous recommendation jobs | `materials-design` | [materials-design.md](references/materials-design.md) |
-| Quantum ESPRESSO/QE PP, asynchronous DFT jobs, logs and artifacts | `qe` | [qe.md](references/qe.md) |
-| Fixed-pool next-SMILES, PDF2Dock and molecular BO trajectories | `ldm-bo` | [ldm-bo.md](references/ldm-bo.md) |
-| KRAS G12D small-molecule generation and iterative multi-objective Vina/activity optimisation | `strbo` | [strbo.md](references/strbo.md) |
-| Reaction-condition initialisation and next-batch recommendations based on measured yields | `synbo` | [synbo.md](references/synbo.md) |
-| Antibody CDRH3 generation/evaluation and AntBO job management | `antbo` | [antbo.md](references/antbo.md) |
-
-When the user describes a complete research workflow using terms such as “LDM”, “discovery
-model”, “small-molecule drug LDM” or “antibody LDM”, first select the actual backend tool based on
-the task goal, then read only the reference for that backend. `ldm-bo` is a callable tool; `LDM`
-itself is not a `--tool` value. For “batch molecular enrichment” or similar requests, use the
-actual tools in sequence: resolve names/identifiers with `pubchem`, then standardise structures
-or calculate molecular properties with `rdkit`.
-
-When the tool is clear, read its reference directly; it already includes the operations, parameters
-and minimal scenarios. Do not read documentation for other tools. Split cross-tool tasks using
-this Skill's routing rules and read only the references for tools actually involved. Do not rely
-on separate routing, service, workflow or catalogue documents.
-
-This table lists research tools with maintained references; it is not a static server catalogue.
-If the user names a new tool absent from the table, or a reference is missing, outdated or
-inconsistent with CLI output, run `delta-cli science list`, then run
-`delta-cli science endpoints list <tool>` once using the exact tool name returned by the catalogue.
-Both commands must exit with code 0 and return top-level `ok:true`. Do not probe with an empty
-body, invalid parameters, source code or direct HTTP. If live endpoint metadata does not provide
-enough request-field contract to construct a safe request, say “The catalogue lists the tool, but
-the server has not provided a schema that can be used to construct a safe request.” Do not guess
-the body, fuzzy-match or transform names. A new tool therefore does not require a CLI change; add
-a single-tool reference only after confirming that it is a distinct real tool and needs automatic
-natural-language routing or parameter construction.
-
-## Routing boundaries
-
-- Use PubChem first for an ordinary compound name. Pass a successfully returned SMILES to RDKit
-  only when structural calculations are needed.
-- Prefer pymatgen for inorganic formulae, composition and formula weight; do not calculate these
-  with PubChem or a local element table.
-- Use `xrd` for cloud powder-XRD phase identification, peak matching, phase decomposition,
-  CIF/MP500 operations and refinement jobs. Use `gsasii` only when directly requesting the
-  GSAS-II tool. Do not conflate their scores, job states or backend semantics.
-- Use Materials Design for materials-table modelling and candidate ranking. Keep controllable
-  variables, objectives, candidate spaces, cross-validation and uncertainty distinct; treat
-  recommendations only as hypotheses to validate.
-- Use QE for explicit electronic-structure calculations. First handle the complete element set,
-  PP policy/lock and structure artifact, then submit the asynchronous workflow. Do not conflate
-  job acceptance, scheduler completion and solver convergence.
-- Use Delta-BO for general experimental variables; LDM-BO for an existing fixed SMILES candidate
-  pool or PDF2Dock trajectory; STRBO for small-molecule generation and iteration against the
-  server-fixed KRAS G12D target; SynBO for coupling reactions, reaction conditions and historical
-  yields; and AntBO for antibodies/CDRH3. Do not mix these tools.
-- Do not hand online LDM, STRBO, AntBO or LDM-BO tasks to the retired
-  `large-discovery-model` Skill, run its gateway scripts or use its built-in service addresses.
-  Offline demonstrations are not company Science results. Explain this boundary only when the
-  user explicitly asks not to use company resources; this Skill must still not run the retired
-  Skill.
-- GSAS-II refinement requires real powder data, instrument parameters and a phase CIF. LAMMPS
-  requires explicit input/data/force-field files. Never fabricate experimental data, CIFs, force
-  fields, historical observations or optimisation results.
-
-## Safety, retries and artifacts
-
-- Require the user's explicit authorisation for remote mutations such as `run-default-job`,
-  `run` and `stop`. Do not retry when the outcome is unknown, the request times out or the
-  connection drops, because the remote action may already have occurred.
-- Treat parameter validation errors, empty recommendations and business-backend failures as
-  failures for the current attempt. For `health`, the catalogue and other clearly read-only,
-  idempotent operations, network errors such as 502, 504 or timeout may be retried once with the
-  same parameters. Make at most one SynBO business call per user task; do not switch models or
-  acquisition functions, or substitute a local algorithm.
-- After the CLI's first failure, return a short summary of the original error. If the user
-  explicitly asks for troubleshooting, you may run read-only `delta-cli auth status`,
-  `delta-cli config show` or `delta-cli ... --help`. Do not log in, change configuration or
-  environment variables, fabricate a UID, token or API key, or retry with a changed operation,
-  parameters or call chain.
-- Treat `X-User-Uid`, login, quota and permission errors as terminal authentication errors; relay
-  only the original error and login guidance. The Skill must never log in, inspect credentials,
-  guess a user identifier or try to bypass quota.
-- Run heavy calls serially. A client timeout does not mean the remote computation was cancelled.
-- Do not create CSV files, images or reports unless the user asks for a file. Write internal
-  hand-off files only to the current `WORKSPACE_ROOT`; do not read another session's workspace or
-  historical results to fill in the current task.
-- Paths, JSON, charts or reports automatically attached by an outer planner do not count as an
-  explicit user request. If the task is essentially a lookup, comparison or check, return the
-  minimum text result directly; do not repeat Science calls to satisfy an added artifact request.
-- Decode only documented fields from binary artifacts; validate PNG magic bytes.
-- If the user explicitly asks for public background information or literature, web searches are
-  permitted, but do not present them as Science calls or use them to replace CLI results. Label
-  the sources separately.
-
-## Output
-
-Project the business response defined by the relevant reference from the current CLI `data` into
-the minimum result the user requested. Preserve strings, numbers, warnings and sources verbatim.
-Do not add units, mechanisms, citations, links, predictions or remembered information that the
-service did not return. Do not describe predictions as measured results.
-Once the last required business result has been obtained successfully, project it directly into
-the final reply. Do not call the CLI again to sort, format, make a table or summarise, and do not
-manually copy the result into a new data literal. Perform simple filtering, comparison and text
-organisation directly in the final reply.
-
-On success, return only bounded plain text derived from the current CLI business result; on
-failure, return only a short summary of the original CLI error. Do not recalculate, rewrite or
-replace a successful or failed Science result with manual recommendations.
-
-Include the following with every successful result:
-
-```text
-Evidence boundary: business results in the current Delta CLI `data` only
-Call chain: delta-cli
-Do not add information absent from the response: yes
-```
-
-## Completion criteria
-
-- Every online operation is supported by evidence that the CLI exited with code 0 and returned
-  top-level `ok:true`.
-- Every scientific value comes from a business field in the current call's `data`, as defined by
-  the reference.
-- Downstream inputs come from verified upstream results in the current task.
-- Failures are classified accurately as configuration, CLI, parameter, Science Server,
-  business-service or timeout failures.
-- No direct HTTP, local scientific library, cross-session file or manually substituted result was
-  used.
+---
+name: delta-science
+description: "The unified entry point for the company's online Science capabilities; all calls go through Delta CLI. Use this Skill for compound, CID, SMILES or molecular-property lookup; batch PubChem and RDKit enrichment; molecular descriptors or similarity; crystal, CIF or space-group parsing; cloud XRD phase identification or refinement; materials-table modelling or candidate recommendations; Quantum ESPRESSO/QE DFT; LAMMPS; Bayesian optimisation from experimental data; reaction-condition optimisation; and any LDM/discovery-model, KRAS G12D small-molecule generation and optimisation, fixed-pool/PDF2Dock trajectory, or antibody CDRH3 optimisation task. Do not use the retired large-discovery-model Skill, legacy gateway scripts, web search or local scientific libraries to bypass Delta CLI. Return text directly for ordinary lookups, comparisons or checks by default; do not add JSON/CSV, report, image or chart steps unless the user explicitly asks to save, export, plot or generate a file."
+metadata:
+  requires:
+    bins: ["delta-cli"]
+  cliHelp: "delta-cli science --help"
+---
+
+# Delta Science
+
+Turn natural-language research tasks into the smallest number of verifiable Delta CLI Science
+calls. Expose only this Skill; select tools and operations, set parameters, hand off between tools,
+and validate results within this Skill.
+
+## Service-call boundary
+
+- Route all online Science operations through Delta CLI: use `delta-cli science invoke` for
+  read-only or JSON-compatible endpoints, `delta-cli science task` for calls with a persistent
+  lifecycle, and `delta-cli science file` for raw files or multipart requests.
+- Use the CLI's standard authentication and the Science service address derived from `base_url`
+  (`{base_url}/science_tool`). Do not rewrite service routing through environment variables,
+  command arguments or business URLs.
+- Do not use `curl`, `requests`, `httpx`, a browser or PowerShell web commands to access company
+  gateways or business-service URLs directly.
+- Do not present local RDKit, pymatgen, LAMMPS, BO, regression or sandbox results as Science
+  results. Local tools may be used for format conversion, file parsing or display, but state their
+  source clearly and keep them separate from CLI results.
+- Read the relevant reference before execution and use it to select the operation and request
+  fields. If the reference is missing, outdated or inconsistent with the current catalogue, you
+  may query the live catalogue. Never invent fields or enum values from memory.
+- `tools.name` and `tool_endpoints.name` are the sole authoritative call names. The tool and
+  endpoint passed to the CLI must exactly match the current database catalogue. The CLI does not
+  map aliases, strip prefixes, infer profiles or retry under a different name after `not_found`.
+  If a reference and the catalogue disagree, stop and report a configuration issue.
+- Report a call as successful only when the CLI subprocess exits with code 0 and the top-level
+  JSON `ok` is `true`. The CLI's top-level `data` contains the service response. Read fields only
+  according to the envelope and business structure in the relevant reference; do not search
+  recursively for plausible values or misreport business results such as `valid:false` as
+  transport failures.
+
+Template for JSON-compatible endpoints:
+
+```text
+delta-cli science invoke --tool TOOL --endpoint ENDPOINT \
+  [--data JSON] [--params JSON] [--path-params JSON] [--headers JSON]
+```
+
+If a tool-proxy endpoint declares path parameters, additional upstream headers or file fields, use
+`--path-params JSON`, `--headers JSON`, `--file PATH` (or `--file-base64 BASE64`), and the
+optional `--content-type MIME`. `--params` means URL query parameters only and cannot replace
+`--path-params`. These fields are forwarded as request-body
+fields to `/api/v1/tools/invoke`. `science file invoke` is a separate interface for QE/Materials
+Design file operations and cannot replace file uploads to tool-proxy endpoints.
+
+Template for persistent tasks:
+
+```text
+delta-cli science task submit --tool TOOL --operation OPERATION \
+  --input JSON --idempotency-key STABLE_KEY [--wait --timeout SECONDS]
+delta-cli science task get TASK_ID
+delta-cli science task cancel TASK_ID
+delta-cli science task invocations TASK_ID
+delta-cli science task artifacts TASK_ID
+```
+
+Template for file operations:
+
+```text
+delta-cli science file invoke --tool qe --endpoint artifact-upload \
+  --file structure.cif --data '{"name":"structure.cif","role":"structure"}'
+delta-cli science file invoke --tool materials-design --endpoint job-submit \
+  --file train.xlsx --candidate-file candidates.xlsx --data CONFIG_JSON
+delta-cli science file download --tool qe --endpoint artifact-content \
+  --params '{"artifact_id":"sha256:<digest>"}' --output result.bin
+```
+
+Use `--params JSON` only when the reference explicitly defines fields as query parameters. Do not
+concatenate JSON into command code; pass it as a single JSON argument using the calling
+environment's safe argument-passing mechanism.
+
+Controlled CLI adapters are available for Materials Design training-table multipart uploads,
+QE raw artifact/custom PP uploads, and `Idempotency-Key`. Pass files through a `science file` file
+flag, and pass idempotency keys through `science task submit --idempotency-key` or the dedicated
+flag for the file operation. Do not disguise local paths, base64 or headers as ordinary `--data`
+fields, and do not connect directly to the preflight Gateway.
+
+Call only the operations needed to meet the goal. Run cross-tool tasks in dependency order within
+the same Skill execution; downstream calls may use only verified business fields from the
+previous step. For a known tool, do not add health, schema, catalogue, render, descriptor or file
+calls by default. Make the minimum number of read-only calls only when the user requests them,
+diagnosis requires them, or the reference disagrees with the live catalogue.
+
+## Choose a tool
+
+| Research goal | tool | Reference |
+| --- | --- | --- |
+| Compound identity, CID, synonyms, public properties, name-to-SMILES conversion | `pubchem` | [pubchem.md](references/pubchem.md) |
+| SMILES/InChI, descriptors, fingerprints, similarity, rendering, substructure | `rdkit` | [rdkit.md](references/rdkit.md) |
+| Inorganic formulae, CIF/POSCAR, crystal structures, space groups | `pymatgen` | [pymatgen.md](references/pymatgen.md) |
+| Cloud XRD phase identification, XQueryer/XMatcher/XDecomposer, CIF simulation, MP500, artifacts and refinement jobs | `xrd` | [xrd.md](references/xrd.md) |
+| Direct GSAS-II simulation or refinement | `gsasii` | [gsasii.md](references/gsasii.md) |
+| Molecular dynamics, minimisation, thermo and output files | `lammps` | [lammps.md](references/lammps.md) |
+| General optimisation of numeric, integer or categorical experimental variables | `delta-bo` | [delta-bo.md](references/delta-bo.md) |
+| Materials-table surrogates, candidate spaces, EI/PI/UCB and asynchronous recommendation jobs | `materials-design` | [materials-design.md](references/materials-design.md) |
+| Quantum ESPRESSO/QE PP, asynchronous DFT jobs, logs and artifacts | `qe` | [qe.md](references/qe.md) |
+| Fixed-pool next-SMILES, PDF2Dock and molecular BO trajectories | `ldm-bo` | [ldm-bo.md](references/ldm-bo.md) |
+| KRAS G12D small-molecule generation and iterative multi-objective Vina/activity optimisation | `strbo` | [strbo.md](references/strbo.md) |
+| Reaction-condition initialisation and next-batch recommendations based on measured yields | `synbo` | [synbo.md](references/synbo.md) |
+| Antibody CDRH3 generation/evaluation and AntBO job management | `antbo` | [antbo.md](references/antbo.md) |
+
+When the user describes a complete research workflow using terms such as “LDM”, “discovery
+model”, “small-molecule drug LDM” or “antibody LDM”, first select the actual backend tool based on
+the task goal, then read only the reference for that backend. `ldm-bo` is a callable tool; `LDM`
+itself is not a `--tool` value. For “batch molecular enrichment” or similar requests, use the
+actual tools in sequence: resolve names/identifiers with `pubchem`, then standardise structures
+or calculate molecular properties with `rdkit`.
+
+When the tool is clear, read its reference directly; it already includes the operations, parameters
+and minimal scenarios. Do not read documentation for other tools. Split cross-tool tasks using
+this Skill's routing rules and read only the references for tools actually involved. Do not rely
+on separate routing, service, workflow or catalogue documents.
+
+This table lists research tools with maintained references; it is not a static server catalogue.
+If the user names a new tool absent from the table, or a reference is missing, outdated or
+inconsistent with CLI output, run `delta-cli science list`, then run
+`delta-cli science endpoints list <tool>` once using the exact tool name returned by the catalogue.
+Both commands must exit with code 0 and return top-level `ok:true`. Do not probe with an empty
+body, invalid parameters, source code or direct HTTP. If live endpoint metadata does not provide
+enough request-field contract to construct a safe request, say “The catalogue lists the tool, but
+the server has not provided a schema that can be used to construct a safe request.” Do not guess
+the body, fuzzy-match or transform names. A new tool therefore does not require a CLI change; add
+a single-tool reference only after confirming that it is a distinct real tool and needs automatic
+natural-language routing or parameter construction.
+
+## Routing boundaries
+
+- Use PubChem first for an ordinary compound name. Pass a successfully returned SMILES to RDKit
+  only when structural calculations are needed.
+- Prefer pymatgen for inorganic formulae, composition and formula weight; do not calculate these
+  with PubChem or a local element table.
+- Use `xrd` for cloud powder-XRD phase identification, peak matching, phase decomposition,
+  CIF/MP500 operations and refinement jobs. Use `gsasii` only when directly requesting the
+  GSAS-II tool. Do not conflate their scores, job states or backend semantics.
+- Use Materials Design for materials-table modelling and candidate ranking. Keep controllable
+  variables, objectives, candidate spaces, cross-validation and uncertainty distinct; treat
+  recommendations only as hypotheses to validate.
+- Use QE for explicit electronic-structure calculations. First handle the complete element set,
+  PP policy/lock and structure artifact, then submit the asynchronous workflow. Do not conflate
+  job acceptance, scheduler completion and solver convergence.
+- Use Delta-BO for general experimental variables; LDM-BO for an existing fixed SMILES candidate
+  pool or PDF2Dock trajectory; STRBO for small-molecule generation and iteration against the
+  server-fixed KRAS G12D target; SynBO for coupling reactions, reaction conditions and historical
+  yields; and AntBO for antibodies/CDRH3. Do not mix these tools.
+- Do not hand online LDM, STRBO, AntBO or LDM-BO tasks to the retired
+  `large-discovery-model` Skill, run its gateway scripts or use its built-in service addresses.
+  Offline demonstrations are not company Science results. Explain this boundary only when the
+  user explicitly asks not to use company resources; this Skill must still not run the retired
+  Skill.
+- GSAS-II refinement requires real powder data, instrument parameters and a phase CIF. LAMMPS
+  requires explicit input/data/force-field files. Never fabricate experimental data, CIFs, force
+  fields, historical observations or optimisation results.
+
+## Safety, retries and artifacts
+
+- Require the user's explicit authorisation for remote mutations such as `run-default-job`,
+  `run` and `stop`. Do not retry when the outcome is unknown, the request times out or the
+  connection drops, because the remote action may already have occurred.
+- Treat parameter validation errors, empty recommendations and business-backend failures as
+  failures for the current attempt. For `health`, the catalogue and other clearly read-only,
+  idempotent operations, network errors such as 502, 504 or timeout may be retried once with the
+  same parameters. Make at most one SynBO business call per user task; do not switch models or
+  acquisition functions, or substitute a local algorithm.
+- After the CLI's first failure, return a short summary of the original error. If the user
+  explicitly asks for troubleshooting, you may run read-only `delta-cli auth status`,
+  `delta-cli config show` or `delta-cli ... --help`. Do not log in, change configuration or
+  environment variables, fabricate a UID, token or API key, or retry with a changed operation,
+  parameters or call chain.
+- Treat `X-User-Uid`, login, quota and permission errors as terminal authentication errors; relay
+  only the original error and login guidance. The Skill must never log in, inspect credentials,
+  guess a user identifier or try to bypass quota.
+- Run heavy calls serially. A client timeout does not mean the remote computation was cancelled.
+- Do not create CSV files, images or reports unless the user asks for a file. Write internal
+  hand-off files only to the current `WORKSPACE_ROOT`; do not read another session's workspace or
+  historical results to fill in the current task.
+- Paths, JSON, charts or reports automatically attached by an outer planner do not count as an
+  explicit user request. If the task is essentially a lookup, comparison or check, return the
+  minimum text result directly; do not repeat Science calls to satisfy an added artifact request.
+- Decode only documented fields from binary artifacts; validate PNG magic bytes.
+- If the user explicitly asks for public background information or literature, web searches are
+  permitted, but do not present them as Science calls or use them to replace CLI results. Label
+  the sources separately.
+
+## Output
+
+Project the business response defined by the relevant reference from the current CLI `data` into
+the minimum result the user requested. Preserve strings, numbers, warnings and sources verbatim.
+Do not add units, mechanisms, citations, links, predictions or remembered information that the
+service did not return. Do not describe predictions as measured results.
+Once the last required business result has been obtained successfully, project it directly into
+the final reply. Do not call the CLI again to sort, format, make a table or summarise, and do not
+manually copy the result into a new data literal. Perform simple filtering, comparison and text
+organisation directly in the final reply.
+
+On success, return only bounded plain text derived from the current CLI business result; on
+failure, return only a short summary of the original CLI error. Do not recalculate, rewrite or
+replace a successful or failed Science result with manual recommendations.
+
+Include the following with every successful result:
+
+```text
+Evidence boundary: business results in the current Delta CLI `data` only
+Call chain: delta-cli
+Do not add information absent from the response: yes
+```
+
+## Completion criteria
+
+- Every online operation is supported by evidence that the CLI exited with code 0 and returned
+  top-level `ok:true`.
+- Every scientific value comes from a business field in the current call's `data`, as defined by
+  the reference.
+- Downstream inputs come from verified upstream results in the current task.
+- Failures are classified accurately as configuration, CLI, parameter, Science Server,
+  business-service or timeout failures.
+- No direct HTTP, local scientific library, cross-session file or manually substituted result was
+  used.

package/skills/delta-science/agents/openai.yaml

@@ -1,4 +1,4 @@
-interface:
-  display_name: "Delta Science"
-  short_description: "Access and orchestrate all Science tools through Delta CLI"
-  default_prompt: "Use $delta-science to analyse the research goal, choose the right tools, and complete the task through Delta CLI."
+interface:
+  display_name: "Delta Science"
+  short_description: "Access and orchestrate all Science tools through Delta CLI"
+  default_prompt: "Use $delta-science to analyse the research goal, choose the right tools, and complete the task through Delta CLI."