@researai/deepscientist 1.5.17 → 1.6.0

package/src/skills/science/references/packages/sisl.md

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+# sisl Electronic Structure Toolkit
+
+## Catalog
+
+- Package id: `sisl`
+- Domains: `quantum_chemistry`, `materials_science`, `workflow_provenance`
+- Tags: `electronic-structure`, `dft`, `tight-binding`, `negf`, `quantum-transport`, `materials-simulation`
+- Knowledge URL: https://github.com/skilled-scipkg/sisl
+- Source archive URL: https://github.com/skilled-scipkg/sisl/archive/refs/heads/main.zip
+- Upstream project URL: https://github.com/zerothi/sisl
+- Homepage: https://zerothi.github.io/sisl
+- Catalog source: FermiLink skilled-scipkg, commit `93f089a333a43089fb1a08a73c37d05fd6683214`
+
+## When To Consider
+
+sisl is a Python toolkit for post-processing electronic-structure simulations and building tight-binding and NEGF workflows with LCAO Hamiltonians, transport analysis, and real-space grids.
+
+## DeepScientist Runtime Rule
+
+This card is package knowledge and routing context only. It does not mean the
+solver, Python module, CLI binary, compiled backend, license server, dataset, or
+HPC module is installed in the active environment. Before computed work, use
+`bash_exec(...)` to perform an import, executable, version, and smoke-test check
+appropriate for `sisl`.
+
+## Package Check
+
+Use a package-specific import, executable, or module check and save the result
+under `validation/environment/sisl_doctor.json` before treating the
+runtime as usable.
+
+Record the result with `artifact.science(...)` as `science.package_check`. Use
+`status="passed"` only when the environment can run at least a minimal smoke
+path. Use `status="failed"` or `status="blocked"` when the check explains why
+execution cannot proceed.
+
+Generated import or executable names are starting points. If `sisl` uses
+a different Python module, CLI binary, environment module, container, or wrapper
+script, adjust the check before concluding the solver is unavailable.
+
+## Expected Science Nodes
+
+- `science.package_check` for import/executable/version/smoke-test evidence
+- `science.computational_run` for solver execution, simulation, fitting, or numerical computation
+- `science.dataset_analysis` when the task primarily analyzes existing data
+- `science.parameter_sweep` when varying parameters, inputs, models, or solver settings
+- `science.validation_result` for convergence, units, schema, controls, or correctness checks
+- `science.claim` only after evidence paths or related nodes support the claim
+
+## Evidence Path Conventions
+
+- `simulations/inputs/` for generated or selected solver inputs
+- `simulations/logs/` for stdout, stderr, scheduler logs, or solver logs
+- `simulations/outputs/` for structured run outputs
+- `analyses/scripts/`, `analyses/logs/`, and `analyses/outputs/` for dataset analysis
+- `validation/environment/` for package checks
+- `validation/runs/` for convergence, unit, schema, or correctness sidecars
+- `figures/` for derived visualizations
+
+## Validation Checklist
+
+- Record package version, executable path, backend, module state, or container image when relevant.
+- Preserve input files and parameters that define the scientific state.
+- Capture units, coordinate conventions, timestep/mesh/basis/model settings, seeds, and convergence criteria when applicable.
+- Validate output schema and important physical or statistical invariants before recording a computed claim.
+- Link claims to run, analysis, sweep, and validation nodes rather than relying on prose.
+
+## Common Pitfalls
+
+- Do not treat the package card or knowledge URL as runtime availability.
+- Do not weaken solver tolerances, physical models, dataset filters, or convergence criteria to make a run pass unless the change is explicitly part of the scientific question.
+- Do not call a value `computed` unless the corresponding run or analysis happened in the current quest and evidence paths are recorded.
+- Do not copy package knowledge-base material into the quest without preserving its source and license context.

package/src/skills/science/references/packages/smilei.md

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+# Smilei Plasma PIC Simulator
+
+## Catalog
+
+- Package id: `smilei`
+- Domains: `electromagnetics`, `plasma_particle_simulation`, `workflow_provenance`
+- Tags: `plasma-physics`, `particle-in-cell`, `electromagnetics`, `computational-physics`, `hpc`
+- Knowledge URL: https://github.com/skilled-scipkg/Smilei
+- Source archive URL: https://github.com/skilled-scipkg/Smilei/archive/refs/heads/master.zip
+- Upstream project URL: https://github.com/SmileiPIC/Smilei
+- Homepage: https://smileipic.github.io/Smilei
+- Catalog source: FermiLink skilled-scipkg, commit `93f089a333a43089fb1a08a73c37d05fd6683214`
+
+## When To Consider
+
+Smilei is an open-source electromagnetic particle-in-cell code for kinetic plasma simulations, supporting laser-plasma, accelerator, space, and astrophysical applications on modern supercomputers.
+
+## DeepScientist Runtime Rule
+
+This card is package knowledge and routing context only. It does not mean the
+solver, Python module, CLI binary, compiled backend, license server, dataset, or
+HPC module is installed in the active environment. Before computed work, use
+`bash_exec(...)` to perform an import, executable, version, and smoke-test check
+appropriate for `smilei`.
+
+## Package Check
+
+For CLI/HPC-oriented environments, check the executable or loaded module before
+running any expensive job:
+
+```bash
+command -v smilei || true
+smilei --version || true
+```
+
+If the package is available only through environment modules, record the module
+state and the exact executable path in `validation/environment/smilei_doctor.json`.
+
+Record the result with `artifact.science(...)` as `science.package_check`. Use
+`status="passed"` only when the environment can run at least a minimal smoke
+path. Use `status="failed"` or `status="blocked"` when the check explains why
+execution cannot proceed.
+
+Generated import or executable names are starting points. If `smilei` uses
+a different Python module, CLI binary, environment module, container, or wrapper
+script, adjust the check before concluding the solver is unavailable.
+
+## Expected Science Nodes
+
+- `science.package_check` for import/executable/version/smoke-test evidence
+- `science.computational_run` for solver execution, simulation, fitting, or numerical computation
+- `science.dataset_analysis` when the task primarily analyzes existing data
+- `science.parameter_sweep` when varying parameters, inputs, models, or solver settings
+- `science.validation_result` for convergence, units, schema, controls, or correctness checks
+- `science.claim` only after evidence paths or related nodes support the claim
+
+## Evidence Path Conventions
+
+- `simulations/inputs/` for generated or selected solver inputs
+- `simulations/logs/` for stdout, stderr, scheduler logs, or solver logs
+- `simulations/outputs/` for structured run outputs
+- `analyses/scripts/`, `analyses/logs/`, and `analyses/outputs/` for dataset analysis
+- `validation/environment/` for package checks
+- `validation/runs/` for convergence, unit, schema, or correctness sidecars
+- `figures/` for derived visualizations
+
+## Validation Checklist
+
+- Record package version, executable path, backend, module state, or container image when relevant.
+- Preserve input files and parameters that define the scientific state.
+- Capture units, coordinate conventions, timestep/mesh/basis/model settings, seeds, and convergence criteria when applicable.
+- Validate output schema and important physical or statistical invariants before recording a computed claim.
+- Link claims to run, analysis, sweep, and validation nodes rather than relying on prose.
+
+## Common Pitfalls
+
+- Do not treat the package card or knowledge URL as runtime availability.
+- Do not weaken solver tolerances, physical models, dataset filters, or convergence criteria to make a run pass unless the change is explicitly part of the scientific question.
+- Do not call a value `computed` unless the corresponding run or analysis happened in the current quest and evidence paths are recorded.
+- Do not copy package knowledge-base material into the quest without preserving its source and license context.

package/src/skills/science/references/packages/snakemake.md

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+# Snakemake Workflow Manager
+
+## Catalog
+
+- Package id: `snakemake`
+- Domains: `bioinformatics`, `workflow_provenance`
+- Tags: `workflow`, `pipelines`, `reproducibility`, `bioinformatics`, `hpc`, `orchestration`
+- Knowledge URL: https://github.com/skilled-scipkg/snakemake
+- Source archive URL: https://github.com/skilled-scipkg/snakemake/archive/refs/heads/main.zip
+- Upstream project URL: https://github.com/snakemake/snakemake
+- Homepage: https://snakemake.github.io
+- Catalog source: FermiLink skilled-scipkg, commit `93f089a333a43089fb1a08a73c37d05fd6683214`
+
+## When To Consider
+
+Snakemake is a Python based workflow management system for reproducible and scalable scientific data pipelines that execute on local machines, HPC clusters, grids, and cloud environments.
+
+## DeepScientist Runtime Rule
+
+This card is package knowledge and routing context only. It does not mean the
+solver, Python module, CLI binary, compiled backend, license server, dataset, or
+HPC module is installed in the active environment. Before computed work, use
+`bash_exec(...)` to perform an import, executable, version, and smoke-test check
+appropriate for `snakemake`.
+
+## Package Check
+
+For Python-facing environments, start with an import/version check and then a
+minimal package-specific smoke test:
+
+```bash
+python - <<'PY'
+import importlib, json, pathlib
+package_id = 'snakemake'
+result = {"package_id": package_id, "import": "failed", "version": None, "smoke": "not_run"}
+try:
+    module = importlib.import_module(package_id.replace('-', '_').split('_jl')[0])
+    result["import"] = "passed"
+    result["version"] = getattr(module, "__version__", None)
+except Exception as exc:
+    result["error"] = repr(exc)
+pathlib.Path("validation/environment").mkdir(parents=True, exist_ok=True)
+pathlib.Path(f"validation/environment/{package_id}_doctor.json").write_text(json.dumps(result, indent=2), encoding="utf-8")
+PY
+```
+
+Record the result with `artifact.science(...)` as `science.package_check`. Use
+`status="passed"` only when the environment can run at least a minimal smoke
+path. Use `status="failed"` or `status="blocked"` when the check explains why
+execution cannot proceed.
+
+Generated import or executable names are starting points. If `snakemake` uses
+a different Python module, CLI binary, environment module, container, or wrapper
+script, adjust the check before concluding the solver is unavailable.
+
+## Expected Science Nodes
+
+- `science.package_check` for import/executable/version/smoke-test evidence
+- `science.computational_run` for solver execution, simulation, fitting, or numerical computation
+- `science.dataset_analysis` when the task primarily analyzes existing data
+- `science.parameter_sweep` when varying parameters, inputs, models, or solver settings
+- `science.validation_result` for convergence, units, schema, controls, or correctness checks
+- `science.claim` only after evidence paths or related nodes support the claim
+
+## Evidence Path Conventions
+
+- `simulations/inputs/` for generated or selected solver inputs
+- `simulations/logs/` for stdout, stderr, scheduler logs, or solver logs
+- `simulations/outputs/` for structured run outputs
+- `analyses/scripts/`, `analyses/logs/`, and `analyses/outputs/` for dataset analysis
+- `validation/environment/` for package checks
+- `validation/runs/` for convergence, unit, schema, or correctness sidecars
+- `figures/` for derived visualizations
+
+## Validation Checklist
+
+- Record package version, executable path, backend, module state, or container image when relevant.
+- Preserve input files and parameters that define the scientific state.
+- Capture units, coordinate conventions, timestep/mesh/basis/model settings, seeds, and convergence criteria when applicable.
+- Validate output schema and important physical or statistical invariants before recording a computed claim.
+- Link claims to run, analysis, sweep, and validation nodes rather than relying on prose.
+
+## Common Pitfalls
+
+- Do not treat the package card or knowledge URL as runtime availability.
+- Do not weaken solver tolerances, physical models, dataset filters, or convergence criteria to make a run pass unless the change is explicitly part of the scientific question.
+- Do not call a value `computed` unless the corresponding run or analysis happened in the current quest and evidence paths are recorded.
+- Do not copy package knowledge-base material into the quest without preserving its source and license context.

package/src/skills/science/references/packages/specfem3d-globe.md

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+# SPECFEM3D Globe
+
+## Catalog
+
+- Package id: `specfem3d-globe`
+- Domains: `workflow_provenance`
+- Tags: `seismology`, `geodynamics`, `wave-propagation`, `spectral-element`, `earth-science`, `hpc`
+- Knowledge URL: https://github.com/skilled-scipkg/specfem3d_globe
+- Source archive URL: https://github.com/skilled-scipkg/specfem3d_globe/archive/refs/heads/master.zip
+- Upstream project URL: https://github.com/SPECFEM/specfem3d_globe
+- Homepage: https://specfem.org
+- Catalog source: FermiLink skilled-scipkg, commit `93f089a333a43089fb1a08a73c37d05fd6683214`
+
+## When To Consider
+
+SPECFEM3D Globe is a 3D spectral-element solver for simulating global and continental-scale seismic wave propagation in Earth, Mars, and Moon models.
+
+## DeepScientist Runtime Rule
+
+This card is package knowledge and routing context only. It does not mean the
+solver, Python module, CLI binary, compiled backend, license server, dataset, or
+HPC module is installed in the active environment. Before computed work, use
+`bash_exec(...)` to perform an import, executable, version, and smoke-test check
+appropriate for `specfem3d-globe`.
+
+## Package Check
+
+For CLI/HPC-oriented environments, check the executable or loaded module before
+running any expensive job:
+
+```bash
+command -v specfem3d-globe || true
+specfem3d-globe --version || true
+```
+
+If the package is available only through environment modules, record the module
+state and the exact executable path in `validation/environment/specfem3d-globe_doctor.json`.
+
+Record the result with `artifact.science(...)` as `science.package_check`. Use
+`status="passed"` only when the environment can run at least a minimal smoke
+path. Use `status="failed"` or `status="blocked"` when the check explains why
+execution cannot proceed.
+
+Generated import or executable names are starting points. If `specfem3d-globe` uses
+a different Python module, CLI binary, environment module, container, or wrapper
+script, adjust the check before concluding the solver is unavailable.
+
+## Expected Science Nodes
+
+- `science.package_check` for import/executable/version/smoke-test evidence
+- `science.computational_run` for solver execution, simulation, fitting, or numerical computation
+- `science.dataset_analysis` when the task primarily analyzes existing data
+- `science.parameter_sweep` when varying parameters, inputs, models, or solver settings
+- `science.validation_result` for convergence, units, schema, controls, or correctness checks
+- `science.claim` only after evidence paths or related nodes support the claim
+
+## Evidence Path Conventions
+
+- `simulations/inputs/` for generated or selected solver inputs
+- `simulations/logs/` for stdout, stderr, scheduler logs, or solver logs
+- `simulations/outputs/` for structured run outputs
+- `analyses/scripts/`, `analyses/logs/`, and `analyses/outputs/` for dataset analysis
+- `validation/environment/` for package checks
+- `validation/runs/` for convergence, unit, schema, or correctness sidecars
+- `figures/` for derived visualizations
+
+## Validation Checklist
+
+- Record package version, executable path, backend, module state, or container image when relevant.
+- Preserve input files and parameters that define the scientific state.
+- Capture units, coordinate conventions, timestep/mesh/basis/model settings, seeds, and convergence criteria when applicable.
+- Validate output schema and important physical or statistical invariants before recording a computed claim.
+- Link claims to run, analysis, sweep, and validation nodes rather than relying on prose.
+
+## Common Pitfalls
+
+- Do not treat the package card or knowledge URL as runtime availability.
+- Do not weaken solver tolerances, physical models, dataset filters, or convergence criteria to make a run pass unless the change is explicitly part of the scientific question.
+- Do not call a value `computed` unless the corresponding run or analysis happened in the current quest and evidence paths are recorded.
+- Do not copy package knowledge-base material into the quest without preserving its source and license context.

package/src/skills/science/references/packages/specutils.md

@@ -0,0 +1,88 @@
+# Specutils Astronomical Spectroscopy
+
+## Catalog
+
+- Package id: `specutils`
+- Domains: `astronomy_astrophysics`, `workflow_provenance`
+- Tags: `astronomy`, `spectroscopy`, `astrophysics`, `spectral-analysis`, `python`
+- Knowledge URL: https://github.com/skilled-scipkg/specutils
+- Source archive URL: https://github.com/skilled-scipkg/specutils/archive/refs/heads/main.zip
+- Upstream project URL: https://github.com/astropy/specutils
+- Homepage: http://specutils.readthedocs.io/en/latest/
+- Catalog source: FermiLink skilled-scipkg, commit `93f089a333a43089fb1a08a73c37d05fd6683214`
+
+## When To Consider
+
+Specutils provides shared data models and analysis utilities for astronomical spectra, supporting spectral extraction, line measurements, continuum handling, and interoperable spectroscopy workflows in Python astronomy.
+
+## DeepScientist Runtime Rule
+
+This card is package knowledge and routing context only. It does not mean the
+solver, Python module, CLI binary, compiled backend, license server, dataset, or
+HPC module is installed in the active environment. Before computed work, use
+`bash_exec(...)` to perform an import, executable, version, and smoke-test check
+appropriate for `specutils`.
+
+## Package Check
+
+For Python-facing environments, start with an import/version check and then a
+minimal package-specific smoke test:
+
+```bash
+python - <<'PY'
+import importlib, json, pathlib
+package_id = 'specutils'
+result = {"package_id": package_id, "import": "failed", "version": None, "smoke": "not_run"}
+try:
+    module = importlib.import_module(package_id.replace('-', '_').split('_jl')[0])
+    result["import"] = "passed"
+    result["version"] = getattr(module, "__version__", None)
+except Exception as exc:
+    result["error"] = repr(exc)
+pathlib.Path("validation/environment").mkdir(parents=True, exist_ok=True)
+pathlib.Path(f"validation/environment/{package_id}_doctor.json").write_text(json.dumps(result, indent=2), encoding="utf-8")
+PY
+```
+
+Record the result with `artifact.science(...)` as `science.package_check`. Use
+`status="passed"` only when the environment can run at least a minimal smoke
+path. Use `status="failed"` or `status="blocked"` when the check explains why
+execution cannot proceed.
+
+Generated import or executable names are starting points. If `specutils` uses
+a different Python module, CLI binary, environment module, container, or wrapper
+script, adjust the check before concluding the solver is unavailable.
+
+## Expected Science Nodes
+
+- `science.package_check` for import/executable/version/smoke-test evidence
+- `science.computational_run` for solver execution, simulation, fitting, or numerical computation
+- `science.dataset_analysis` when the task primarily analyzes existing data
+- `science.parameter_sweep` when varying parameters, inputs, models, or solver settings
+- `science.validation_result` for convergence, units, schema, controls, or correctness checks
+- `science.claim` only after evidence paths or related nodes support the claim
+
+## Evidence Path Conventions
+
+- `simulations/inputs/` for generated or selected solver inputs
+- `simulations/logs/` for stdout, stderr, scheduler logs, or solver logs
+- `simulations/outputs/` for structured run outputs
+- `analyses/scripts/`, `analyses/logs/`, and `analyses/outputs/` for dataset analysis
+- `validation/environment/` for package checks
+- `validation/runs/` for convergence, unit, schema, or correctness sidecars
+- `figures/` for derived visualizations
+
+## Validation Checklist
+
+- Record package version, executable path, backend, module state, or container image when relevant.
+- Preserve input files and parameters that define the scientific state.
+- Capture units, coordinate conventions, timestep/mesh/basis/model settings, seeds, and convergence criteria when applicable.
+- Validate output schema and important physical or statistical invariants before recording a computed claim.
+- Link claims to run, analysis, sweep, and validation nodes rather than relying on prose.
+
+## Common Pitfalls
+
+- Do not treat the package card or knowledge URL as runtime availability.
+- Do not weaken solver tolerances, physical models, dataset filters, or convergence criteria to make a run pass unless the change is explicitly part of the scientific question.
+- Do not call a value `computed` unless the corresponding run or analysis happened in the current quest and evidence paths are recorded.
+- Do not copy package knowledge-base material into the quest without preserving its source and license context.

package/src/skills/science/references/packages/spglib.md

@@ -0,0 +1,80 @@
+# Spglib Crystal Symmetry Toolkit
+
+## Catalog
+
+- Package id: `spglib`
+- Domains: `materials_science`, `workflow_provenance`
+- Tags: `crystallography`, `materials-science`, `crystal-symmetry`, `space-groups`, `solid-state`, `atomistic`, `structure-analysis`
+- Knowledge URL: https://github.com/skilled-scipkg/spglib
+- Source archive URL: https://github.com/skilled-scipkg/spglib/archive/refs/heads/develop.zip
+- Upstream project URL: https://github.com/spglib/spglib
+- Homepage: https://spglib.readthedocs.io/en/latest/
+- Catalog source: FermiLink skilled-scipkg, commit `93f089a333a43089fb1a08a73c37d05fd6683214`
+
+## When To Consider
+
+Spglib provides robust crystal symmetry analysis to determine space groups, symmetry operations, and standardized cells from atomic coordinates, supporting crystallography, materials modeling, and solid-state simulation workflows.
+
+## DeepScientist Runtime Rule
+
+This card is package knowledge and routing context only. It does not mean the
+solver, Python module, CLI binary, compiled backend, license server, dataset, or
+HPC module is installed in the active environment. Before computed work, use
+`bash_exec(...)` to perform an import, executable, version, and smoke-test check
+appropriate for `spglib`.
+
+## Package Check
+
+For CLI/HPC-oriented environments, check the executable or loaded module before
+running any expensive job:
+
+```bash
+command -v spglib || true
+spglib --version || true
+```
+
+If the package is available only through environment modules, record the module
+state and the exact executable path in `validation/environment/spglib_doctor.json`.
+
+Record the result with `artifact.science(...)` as `science.package_check`. Use
+`status="passed"` only when the environment can run at least a minimal smoke
+path. Use `status="failed"` or `status="blocked"` when the check explains why
+execution cannot proceed.
+
+Generated import or executable names are starting points. If `spglib` uses
+a different Python module, CLI binary, environment module, container, or wrapper
+script, adjust the check before concluding the solver is unavailable.
+
+## Expected Science Nodes
+
+- `science.package_check` for import/executable/version/smoke-test evidence
+- `science.computational_run` for solver execution, simulation, fitting, or numerical computation
+- `science.dataset_analysis` when the task primarily analyzes existing data
+- `science.parameter_sweep` when varying parameters, inputs, models, or solver settings
+- `science.validation_result` for convergence, units, schema, controls, or correctness checks
+- `science.claim` only after evidence paths or related nodes support the claim
+
+## Evidence Path Conventions
+
+- `simulations/inputs/` for generated or selected solver inputs
+- `simulations/logs/` for stdout, stderr, scheduler logs, or solver logs
+- `simulations/outputs/` for structured run outputs
+- `analyses/scripts/`, `analyses/logs/`, and `analyses/outputs/` for dataset analysis
+- `validation/environment/` for package checks
+- `validation/runs/` for convergence, unit, schema, or correctness sidecars
+- `figures/` for derived visualizations
+
+## Validation Checklist
+
+- Record package version, executable path, backend, module state, or container image when relevant.
+- Preserve input files and parameters that define the scientific state.
+- Capture units, coordinate conventions, timestep/mesh/basis/model settings, seeds, and convergence criteria when applicable.
+- Validate output schema and important physical or statistical invariants before recording a computed claim.
+- Link claims to run, analysis, sweep, and validation nodes rather than relying on prose.
+
+## Common Pitfalls
+
+- Do not treat the package card or knowledge URL as runtime availability.
+- Do not weaken solver tolerances, physical models, dataset filters, or convergence criteria to make a run pass unless the change is explicitly part of the scientific question.
+- Do not call a value `computed` unless the corresponding run or analysis happened in the current quest and evidence paths are recorded.
+- Do not copy package knowledge-base material into the quest without preserving its source and license context.

package/src/skills/science/references/packages/squidpy.md

@@ -0,0 +1,88 @@
+# Squidpy Spatial Omics Analysis
+
+## Catalog
+
+- Package id: `squidpy`
+- Domains: `bioinformatics`, `finite_element_engineering`
+- Tags: `spatial-omics`, `single-cell`, `bioinformatics`, `spatial-transcriptomics`, `tissue-imaging`, `scverse`
+- Knowledge URL: https://github.com/skilled-scipkg/squidpy
+- Source archive URL: https://github.com/skilled-scipkg/squidpy/archive/refs/heads/main.zip
+- Upstream project URL: https://github.com/scverse/squidpy
+- Homepage: https://squidpy.readthedocs.io/en/stable/
+- Catalog source: FermiLink skilled-scipkg, commit `93f089a333a43089fb1a08a73c37d05fd6683214`
+
+## When To Consider
+
+Squidpy is a Python toolkit for scalable spatial single-cell and spatial omics analysis, combining tissue image feature extraction, spatial statistics, neighborhood graphs, and interactive exploration.
+
+## DeepScientist Runtime Rule
+
+This card is package knowledge and routing context only. It does not mean the
+solver, Python module, CLI binary, compiled backend, license server, dataset, or
+HPC module is installed in the active environment. Before computed work, use
+`bash_exec(...)` to perform an import, executable, version, and smoke-test check
+appropriate for `squidpy`.
+
+## Package Check
+
+For Python-facing environments, start with an import/version check and then a
+minimal package-specific smoke test:
+
+```bash
+python - <<'PY'
+import importlib, json, pathlib
+package_id = 'squidpy'
+result = {"package_id": package_id, "import": "failed", "version": None, "smoke": "not_run"}
+try:
+    module = importlib.import_module(package_id.replace('-', '_').split('_jl')[0])
+    result["import"] = "passed"
+    result["version"] = getattr(module, "__version__", None)
+except Exception as exc:
+    result["error"] = repr(exc)
+pathlib.Path("validation/environment").mkdir(parents=True, exist_ok=True)
+pathlib.Path(f"validation/environment/{package_id}_doctor.json").write_text(json.dumps(result, indent=2), encoding="utf-8")
+PY
+```
+
+Record the result with `artifact.science(...)` as `science.package_check`. Use
+`status="passed"` only when the environment can run at least a minimal smoke
+path. Use `status="failed"` or `status="blocked"` when the check explains why
+execution cannot proceed.
+
+Generated import or executable names are starting points. If `squidpy` uses
+a different Python module, CLI binary, environment module, container, or wrapper
+script, adjust the check before concluding the solver is unavailable.
+
+## Expected Science Nodes
+
+- `science.package_check` for import/executable/version/smoke-test evidence
+- `science.computational_run` for solver execution, simulation, fitting, or numerical computation
+- `science.dataset_analysis` when the task primarily analyzes existing data
+- `science.parameter_sweep` when varying parameters, inputs, models, or solver settings
+- `science.validation_result` for convergence, units, schema, controls, or correctness checks
+- `science.claim` only after evidence paths or related nodes support the claim
+
+## Evidence Path Conventions
+
+- `simulations/inputs/` for generated or selected solver inputs
+- `simulations/logs/` for stdout, stderr, scheduler logs, or solver logs
+- `simulations/outputs/` for structured run outputs
+- `analyses/scripts/`, `analyses/logs/`, and `analyses/outputs/` for dataset analysis
+- `validation/environment/` for package checks
+- `validation/runs/` for convergence, unit, schema, or correctness sidecars
+- `figures/` for derived visualizations
+
+## Validation Checklist
+
+- Record package version, executable path, backend, module state, or container image when relevant.
+- Preserve input files and parameters that define the scientific state.
+- Capture units, coordinate conventions, timestep/mesh/basis/model settings, seeds, and convergence criteria when applicable.
+- Validate output schema and important physical or statistical invariants before recording a computed claim.
+- Link claims to run, analysis, sweep, and validation nodes rather than relying on prose.
+
+## Common Pitfalls
+
+- Do not treat the package card or knowledge URL as runtime availability.
+- Do not weaken solver tolerances, physical models, dataset filters, or convergence criteria to make a run pass unless the change is explicitly part of the scientific question.
+- Do not call a value `computed` unless the corresponding run or analysis happened in the current quest and evidence paths are recorded.
+- Do not copy package knowledge-base material into the quest without preserving its source and license context.