@delta-infra/cli 1.1.1 → 1.1.3

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (32) hide show
  1. package/README.md +7 -1
  2. package/checksums.txt +5 -5
  3. package/package.json +1 -1
  4. package/scripts/install-wizard.js +701 -701
  5. package/scripts/install.js +442 -442
  6. package/scripts/run.js +65 -65
  7. package/skills/delta-sandbox/SKILL.md +383 -383
  8. package/skills/delta-sandbox/agents/openai.yaml +4 -4
  9. package/skills/delta-sandbox/references/commands.md +58 -58
  10. package/skills/delta-sandbox/references/lifecycle.md +100 -100
  11. package/skills/delta-sandbox/references/recipes.md +138 -138
  12. package/skills/delta-science/AGENTS.md +47 -47
  13. package/skills/delta-science/SKILL.md +174 -174
  14. package/skills/delta-science/agents/openai.yaml +4 -4
  15. package/skills/delta-science/references/antbo.md +100 -100
  16. package/skills/delta-science/references/delta-bo.md +89 -89
  17. package/skills/delta-science/references/gsasii.md +116 -116
  18. package/skills/delta-science/references/lammps.md +66 -66
  19. package/skills/delta-science/references/ldm-bo.md +129 -129
  20. package/skills/delta-science/references/materials-design.md +118 -118
  21. package/skills/delta-science/references/pubchem.md +126 -126
  22. package/skills/delta-science/references/pymatgen.md +68 -68
  23. package/skills/delta-science/references/qe.md +125 -125
  24. package/skills/delta-science/references/rdkit.md +138 -138
  25. package/skills/delta-science/references/strbo.md +87 -87
  26. package/skills/delta-science/references/synbo.md +198 -198
  27. package/skills/delta-science/scripts/catalog.py +92 -92
  28. package/skills/delta-science/scripts/generated_catalog.py +69 -69
  29. package/skills/delta-science/scripts/invoke.py +346 -346
  30. package/skills/delta-shared/SKILL.md +111 -97
  31. package/skills/delta-shared/agents/openai.yaml +4 -4
  32. package/skills/manifest.json +19 -19
package/skills/delta-science/scripts/generated_catalog.py CHANGED
@@ -1,69 +1,69 @@
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- """Generated Science catalog aliases. Do not edit by hand."""
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-
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- LEGACY_TOOL_ALIASES = {
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- "synbo": "synbo-service",
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- "antbo": "antbo-service",
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- }
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-
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- LEGACY_ENDPOINTS = {
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- "pubchem": {
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- "health": "chem_pubchem_health",
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- "compound-resolve-cids": "chem_pubchem_compound_resolve-cids",
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- "compound-properties": "chem_pubchem_compound_properties",
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- "compound-synonyms": "chem_pubchem_compound_synonyms",
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- "compound-summary": "chem_pubchem_compound_summary",
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- "compound-batch-summary": "chem_pubchem_compound_batch-summary",
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- },
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- "rdkit": {
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- "health": "chem_rdkit_health",
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- "parse": "chem_rdkit_parse",
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- "descriptors": "chem_rdkit_descriptors",
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- "batch-descriptors": "chem_rdkit_batch-descriptors",
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- "batch-parse-describe": "chem_rdkit_batch-parse-describe",
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- "render": "chem_rdkit_render",
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- "fingerprint": "chem_rdkit_fingerprint",
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- "similarity": "chem_rdkit_similarity",
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- "similarity-matrix": "chem_rdkit_similarity-matrix",
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- "substructure": "chem_rdkit_substructure",
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- },
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- "pymatgen": {
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- "health": "chem_pymatgen_health",
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- "composition-parse": "chem_pymatgen_composition_parse",
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- "structure-parse": "chem_pymatgen_structure_parse",
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- "structure-summary": "chem_pymatgen_structure_summary",
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- "structure-convert": "chem_pymatgen_structure_convert",
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- "structure-symmetry": "chem_pymatgen_structure_symmetry",
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- },
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- "gsasii": {
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- "health": "chem_gsasii_health",
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- "powder-simulate": "chem_gsasii_powder_simulate",
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- "powder-refine": "chem_gsasii_powder_refine",
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- },
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- "lammps": {
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- "health": "chem_lammps_health",
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- "lj-melt-example": "chem_lammps_examples_lj-melt",
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- "run": "chem_lammps_run",
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- },
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- "delta-bo": {
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- "commands": "chem_delta-bo_commands",
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- "generate": "chem_delta-bo_generate",
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- },
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- "ldm-bo": {
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- "health": "chem_ldm-bo_health",
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- "recommend": "chem_ldm-bo_recommend",
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- "trajectory": "chem_ldm-bo_trajectory",
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- },
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- "synbo": {
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- "health": "chem_synbo_health",
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- "initialize": "chem_synbo_initialize",
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- "optimize": "chem_synbo_optimize",
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- },
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- "antbo": {
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- "health": "biology_antbo_health",
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- "run-default-job": "biology_antbo_run_default_job",
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- "run": "biology_antbo_run",
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- "log": "biology_antbo_log",
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- "jobs": "biology_antbo_jobs",
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- "stop": "biology_antbo_stop",
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- },
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- }
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+ """Generated Science catalog aliases. Do not edit by hand."""
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+
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+ LEGACY_TOOL_ALIASES = {
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+ "synbo": "synbo-service",
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+ "antbo": "antbo-service",
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+ }
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+
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+ LEGACY_ENDPOINTS = {
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+ "pubchem": {
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+ "health": "chem_pubchem_health",
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+ "compound-resolve-cids": "chem_pubchem_compound_resolve-cids",
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+ "compound-properties": "chem_pubchem_compound_properties",
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+ "compound-synonyms": "chem_pubchem_compound_synonyms",
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+ "compound-summary": "chem_pubchem_compound_summary",
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+ "compound-batch-summary": "chem_pubchem_compound_batch-summary",
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+ },
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+ "rdkit": {
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+ "health": "chem_rdkit_health",
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+ "parse": "chem_rdkit_parse",
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+ "descriptors": "chem_rdkit_descriptors",
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+ "batch-descriptors": "chem_rdkit_batch-descriptors",
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+ "batch-parse-describe": "chem_rdkit_batch-parse-describe",
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+ "render": "chem_rdkit_render",
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+ "fingerprint": "chem_rdkit_fingerprint",
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+ "similarity": "chem_rdkit_similarity",
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+ "similarity-matrix": "chem_rdkit_similarity-matrix",
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+ "substructure": "chem_rdkit_substructure",
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+ },
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+ "pymatgen": {
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+ "health": "chem_pymatgen_health",
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+ "composition-parse": "chem_pymatgen_composition_parse",
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+ "structure-parse": "chem_pymatgen_structure_parse",
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+ "structure-summary": "chem_pymatgen_structure_summary",
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+ "structure-convert": "chem_pymatgen_structure_convert",
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+ "structure-symmetry": "chem_pymatgen_structure_symmetry",
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+ },
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+ "gsasii": {
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+ "health": "chem_gsasii_health",
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+ "powder-simulate": "chem_gsasii_powder_simulate",
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+ "powder-refine": "chem_gsasii_powder_refine",
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+ },
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+ "lammps": {
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+ "health": "chem_lammps_health",
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+ "lj-melt-example": "chem_lammps_examples_lj-melt",
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+ "run": "chem_lammps_run",
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+ },
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+ "delta-bo": {
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+ "commands": "chem_delta-bo_commands",
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+ "generate": "chem_delta-bo_generate",
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+ },
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+ "ldm-bo": {
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+ "health": "chem_ldm-bo_health",
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+ "recommend": "chem_ldm-bo_recommend",
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+ "trajectory": "chem_ldm-bo_trajectory",
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+ },
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+ "synbo": {
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+ "health": "chem_synbo_health",
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+ "initialize": "chem_synbo_initialize",
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+ "optimize": "chem_synbo_optimize",
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+ },
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+ "antbo": {
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+ "health": "biology_antbo_health",
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+ "run-default-job": "biology_antbo_run_default_job",
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+ "run": "biology_antbo_run",
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+ "log": "biology_antbo_log",
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+ "jobs": "biology_antbo_jobs",
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+ "stop": "biology_antbo_stop",
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+ },
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+ }