@mat3ra/esse 2024.3.19-0 → 2024.3.22-0

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Files changed (593) hide show
  1. package/.eslintrc.json +1 -1
  2. package/build_schemas.js +1 -1
  3. package/compile_ts.ts +1 -1
  4. package/{lib → dist}/js/esse/utils.js +1 -0
  5. package/{lib → dist}/js/schema/material.json +14 -0
  6. package/{lib → dist}/js/schema/properties_directory/structural/basis.json +14 -0
  7. package/{lib → dist}/js/schemas.json +1 -1
  8. package/package.json +25 -16
  9. package/schema/properties_directory/structural/basis.json +14 -0
  10. package/src/js/esse/utils.ts +1 -0
  11. package/tsconfig.json +5 -32
  12. /package/{lib → dist}/js/esse/JSONSchemasGenerator.d.ts +0 -0
  13. /package/{lib → dist}/js/esse/JSONSchemasGenerator.js +0 -0
  14. /package/{lib → dist}/js/esse/JSONSchemasInterface.d.ts +0 -0
  15. /package/{lib → dist}/js/esse/JSONSchemasInterface.js +0 -0
  16. /package/{lib → dist}/js/esse/JSONSchemasInterfaceServer.d.ts +0 -0
  17. /package/{lib → dist}/js/esse/JSONSchemasInterfaceServer.js +0 -0
  18. /package/{lib → dist}/js/esse/schemaUtils.d.ts +0 -0
  19. /package/{lib → dist}/js/esse/schemaUtils.js +0 -0
  20. /package/{lib → dist}/js/esse/settings.d.ts +0 -0
  21. /package/{lib → dist}/js/esse/settings.js +0 -0
  22. /package/{lib → dist}/js/esse/types.d.ts +0 -0
  23. /package/{lib → dist}/js/esse/types.js +0 -0
  24. /package/{lib → dist}/js/esse/utils.d.ts +0 -0
  25. /package/{lib → dist}/js/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -0
  26. /package/{lib → dist}/js/example/3pse/file/applications/espresso/7.2/pw.x.json +0 -0
  27. /package/{lib → dist}/js/example/core/abstract/2d_data.json +0 -0
  28. /package/{lib → dist}/js/example/core/abstract/2d_plot.json +0 -0
  29. /package/{lib → dist}/js/example/core/abstract/3d_grid.json +0 -0
  30. /package/{lib → dist}/js/example/core/abstract/3d_tensor.json +0 -0
  31. /package/{lib → dist}/js/example/core/abstract/3d_vector_basis.json +0 -0
  32. /package/{lib → dist}/js/example/core/abstract/point.json +0 -0
  33. /package/{lib → dist}/js/example/core/abstract/vector.json +0 -0
  34. /package/{lib → dist}/js/example/core/primitive/1d_data_series.json +0 -0
  35. /package/{lib → dist}/js/example/core/primitive/3d_lattice.json +0 -0
  36. /package/{lib → dist}/js/example/core/primitive/array_of_3_booleans.json +0 -0
  37. /package/{lib → dist}/js/example/core/primitive/array_of_3_numbers.json +0 -0
  38. /package/{lib → dist}/js/example/core/primitive/array_of_ids.json +0 -0
  39. /package/{lib → dist}/js/example/core/primitive/axis.json +0 -0
  40. /package/{lib → dist}/js/example/core/primitive/scalar.json +0 -0
  41. /package/{lib → dist}/js/example/core/primitive/string.json +0 -0
  42. /package/{lib → dist}/js/example/core/reference/experiment/condition.json +0 -0
  43. /package/{lib → dist}/js/example/core/reference/experiment/location.json +0 -0
  44. /package/{lib → dist}/js/example/core/reference/experiment.json +0 -0
  45. /package/{lib → dist}/js/example/core/reference/literature/name.json +0 -0
  46. /package/{lib → dist}/js/example/core/reference/literature/pages.json +0 -0
  47. /package/{lib → dist}/js/example/core/reference/literature.json +0 -0
  48. /package/{lib → dist}/js/example/core/reference/modeling/exabyte.json +0 -0
  49. /package/{lib → dist}/js/example/core/reference/modeling.json +0 -0
  50. /package/{lib → dist}/js/example/core/reference.json +0 -0
  51. /package/{lib → dist}/js/example/core/reusable/atomic_vectors.json +0 -0
  52. /package/{lib → dist}/js/example/core/reusable/band_gap.json +0 -0
  53. /package/{lib → dist}/js/example/core/reusable/energy.json +0 -0
  54. /package/{lib → dist}/js/example/core/reusable/file_metadata.json +0 -0
  55. /package/{lib → dist}/js/example/core/reusable/object_storage_container_data.json +0 -0
  56. /package/{lib → dist}/js/example/element.json +0 -0
  57. /package/{lib → dist}/js/example/job/compute.json +0 -0
  58. /package/{lib → dist}/js/example/job.json +0 -0
  59. /package/{lib → dist}/js/example/material.json +0 -0
  60. /package/{lib → dist}/js/example/method/categorized_method.json +0 -0
  61. /package/{lib → dist}/js/example/method/method_parameters.json +0 -0
  62. /package/{lib → dist}/js/example/method.json +0 -0
  63. /package/{lib → dist}/js/example/methods_directory/legacy/localorbital.json +0 -0
  64. /package/{lib → dist}/js/example/methods_directory/legacy/pseudopotential.json +0 -0
  65. /package/{lib → dist}/js/example/methods_directory/legacy/regression.json +0 -0
  66. /package/{lib → dist}/js/example/methods_directory/legacy/unknown.json +0 -0
  67. /package/{lib → dist}/js/example/methods_directory/mathematical/cg.json +0 -0
  68. /package/{lib → dist}/js/example/methods_directory/mathematical/regression.json +0 -0
  69. /package/{lib → dist}/js/example/methods_directory/physical/ao/dunning.json +0 -0
  70. /package/{lib → dist}/js/example/methods_directory/physical/psp/file.json +0 -0
  71. /package/{lib → dist}/js/example/methods_directory/physical/psp.json +0 -0
  72. /package/{lib → dist}/js/example/methods_directory/physical/pw.json +0 -0
  73. /package/{lib → dist}/js/example/methods_directory/physical/smearing.json +0 -0
  74. /package/{lib → dist}/js/example/methods_directory/physical/tetrahedron.json +0 -0
  75. /package/{lib → dist}/js/example/model/categorized_model.json +0 -0
  76. /package/{lib → dist}/js/example/model/model_parameters.json +0 -0
  77. /package/{lib → dist}/js/example/model.json +0 -0
  78. /package/{lib → dist}/js/example/models_category/pb/qm/abin/gw.json +0 -0
  79. /package/{lib → dist}/js/example/models_category/pb/qm/dft/ksdft.json +0 -0
  80. /package/{lib → dist}/js/example/models_category/pb/qm/semp.json +0 -0
  81. /package/{lib → dist}/js/example/models_directory/gga.json +0 -0
  82. /package/{lib → dist}/js/example/models_directory/gw.json +0 -0
  83. /package/{lib → dist}/js/example/models_directory/hybrid.json +0 -0
  84. /package/{lib → dist}/js/example/models_directory/lda.json +0 -0
  85. /package/{lib → dist}/js/example/models_directory/legacy/dft.json +0 -0
  86. /package/{lib → dist}/js/example/models_directory/legacy/ml.json +0 -0
  87. /package/{lib → dist}/js/example/models_directory/legacy/unknown.json +0 -0
  88. /package/{lib → dist}/js/example/models_directory/re.json +0 -0
  89. /package/{lib → dist}/js/example/project.json +0 -0
  90. /package/{lib → dist}/js/example/properties_directory/electronic_configuration.json +0 -0
  91. /package/{lib → dist}/js/example/properties_directory/elemental/atomic_radius.json +0 -0
  92. /package/{lib → dist}/js/example/properties_directory/elemental/electronegativity.json +0 -0
  93. /package/{lib → dist}/js/example/properties_directory/elemental/ionization_potential.json +0 -0
  94. /package/{lib → dist}/js/example/properties_directory/non_scalar/band_gaps.json +0 -0
  95. /package/{lib → dist}/js/example/properties_directory/non_scalar/band_structure.json +0 -0
  96. /package/{lib → dist}/js/example/properties_directory/non_scalar/charge_density_profile.json +0 -0
  97. /package/{lib → dist}/js/example/properties_directory/non_scalar/density_of_states.json +0 -0
  98. /package/{lib → dist}/js/example/properties_directory/non_scalar/dielectric_tensor.json +0 -0
  99. /package/{lib → dist}/js/example/properties_directory/non_scalar/file_content.json +0 -0
  100. /package/{lib → dist}/js/example/properties_directory/non_scalar/hubbard_u.json +0 -0
  101. /package/{lib → dist}/js/example/properties_directory/non_scalar/hubbard_v.json +0 -0
  102. /package/{lib → dist}/js/example/properties_directory/non_scalar/hubbard_v_nn.json +0 -0
  103. /package/{lib → dist}/js/example/properties_directory/non_scalar/phonon_dispersions.json +0 -0
  104. /package/{lib → dist}/js/example/properties_directory/non_scalar/phonon_dos.json +0 -0
  105. /package/{lib → dist}/js/example/properties_directory/non_scalar/potential_profile.json +0 -0
  106. /package/{lib → dist}/js/example/properties_directory/non_scalar/reaction_energy_profile.json +0 -0
  107. /package/{lib → dist}/js/example/properties_directory/non_scalar/stress_tensor.json +0 -0
  108. /package/{lib → dist}/js/example/properties_directory/non_scalar/total_energy_contributions.json +0 -0
  109. /package/{lib → dist}/js/example/properties_directory/non_scalar/vibrational_spectrum.json +0 -0
  110. /package/{lib → dist}/js/example/properties_directory/scalar/electron_affinity.json +0 -0
  111. /package/{lib → dist}/js/example/properties_directory/scalar/fermi_energy.json +0 -0
  112. /package/{lib → dist}/js/example/properties_directory/scalar/formation_energy.json +0 -0
  113. /package/{lib → dist}/js/example/properties_directory/scalar/ionization_potential.json +0 -0
  114. /package/{lib → dist}/js/example/properties_directory/scalar/pressure.json +0 -0
  115. /package/{lib → dist}/js/example/properties_directory/scalar/reaction_energy_barrier.json +0 -0
  116. /package/{lib → dist}/js/example/properties_directory/scalar/surface_energy.json +0 -0
  117. /package/{lib → dist}/js/example/properties_directory/scalar/total_energy.json +0 -0
  118. /package/{lib → dist}/js/example/properties_directory/scalar/total_force.json +0 -0
  119. /package/{lib → dist}/js/example/properties_directory/scalar/valence_band_offset.json +0 -0
  120. /package/{lib → dist}/js/example/properties_directory/scalar/zero_point_energy.json +0 -0
  121. /package/{lib → dist}/js/example/properties_directory/structural/atomic_forces.json +0 -0
  122. /package/{lib → dist}/js/example/properties_directory/structural/basis/atomic_constraints.json +0 -0
  123. /package/{lib → dist}/js/example/properties_directory/structural/basis/atomic_coordinate.json +0 -0
  124. /package/{lib → dist}/js/example/properties_directory/structural/basis/atomic_coordinates.json +0 -0
  125. /package/{lib → dist}/js/example/properties_directory/structural/basis/atomic_element.json +0 -0
  126. /package/{lib → dist}/js/example/properties_directory/structural/basis/bonds.json +0 -0
  127. /package/{lib → dist}/js/example/properties_directory/structural/basis.json +0 -0
  128. /package/{lib → dist}/js/example/properties_directory/structural/density.json +0 -0
  129. /package/{lib → dist}/js/example/properties_directory/structural/elemental_ratio.json +0 -0
  130. /package/{lib → dist}/js/example/properties_directory/structural/inchi.json +0 -0
  131. /package/{lib → dist}/js/example/properties_directory/structural/inchi_key.json +0 -0
  132. /package/{lib → dist}/js/example/properties_directory/structural/lattice/lattice_bravais.json +0 -0
  133. /package/{lib → dist}/js/example/properties_directory/structural/lattice/lattice_vectors.json +0 -0
  134. /package/{lib → dist}/js/example/properties_directory/structural/lattice.json +0 -0
  135. /package/{lib → dist}/js/example/properties_directory/structural/magnetic_moments.json +0 -0
  136. /package/{lib → dist}/js/example/properties_directory/structural/molecular_pattern.json +0 -0
  137. /package/{lib → dist}/js/example/properties_directory/structural/p_norm.json +0 -0
  138. /package/{lib → dist}/js/example/properties_directory/structural/symmetry.json +0 -0
  139. /package/{lib → dist}/js/example/properties_directory/structural/volume.json +0 -0
  140. /package/{lib → dist}/js/example/properties_directory/workflow/convergence/electronic.json +0 -0
  141. /package/{lib → dist}/js/example/properties_directory/workflow/convergence/ionic.json +0 -0
  142. /package/{lib → dist}/js/example/properties_directory/workflow/convergence/kpoint.json +0 -0
  143. /package/{lib → dist}/js/example/property/base.json +0 -0
  144. /package/{lib → dist}/js/example/software/application.json +0 -0
  145. /package/{lib → dist}/js/example/software/executable.json +0 -0
  146. /package/{lib → dist}/js/example/software/flavor.json +0 -0
  147. /package/{lib → dist}/js/example/software/template.json +0 -0
  148. /package/{lib → dist}/js/example/software_directory/ml/exabyteml.json +0 -0
  149. /package/{lib → dist}/js/example/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -0
  150. /package/{lib → dist}/js/example/software_directory/ml/unit/execution/initialize.json +0 -0
  151. /package/{lib → dist}/js/example/software_directory/ml/unit/execution/score.json +0 -0
  152. /package/{lib → dist}/js/example/software_directory/ml/unit/execution/train.json +0 -0
  153. /package/{lib → dist}/js/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -0
  154. /package/{lib → dist}/js/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -0
  155. /package/{lib → dist}/js/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -0
  156. /package/{lib → dist}/js/example/software_directory/modeling/espresso/arguments.json +0 -0
  157. /package/{lib → dist}/js/example/software_directory/modeling/espresso.json +0 -0
  158. /package/{lib → dist}/js/example/software_directory/modeling/nwchem.json +0 -0
  159. /package/{lib → dist}/js/example/software_directory/modeling/unit/execution.json +0 -0
  160. /package/{lib → dist}/js/example/software_directory/modeling/vasp.json +0 -0
  161. /package/{lib → dist}/js/example/software_directory/scripting/jupyter_lab.json +0 -0
  162. /package/{lib → dist}/js/example/software_directory/scripting/python.json +0 -0
  163. /package/{lib → dist}/js/example/software_directory/scripting/shell.json +0 -0
  164. /package/{lib → dist}/js/example/software_directory/scripting/unit/execution.json +0 -0
  165. /package/{lib → dist}/js/example/system/_material.json +0 -0
  166. /package/{lib → dist}/js/example/system/_parent_job.json +0 -0
  167. /package/{lib → dist}/js/example/system/_project.json +0 -0
  168. /package/{lib → dist}/js/example/system/consistency_check.json +0 -0
  169. /package/{lib → dist}/js/example/system/creator.json +0 -0
  170. /package/{lib → dist}/js/example/system/entity_reference.json +0 -0
  171. /package/{lib → dist}/js/example/system/file_source.json +0 -0
  172. /package/{lib → dist}/js/example/system/iframe_message.json +0 -0
  173. /package/{lib → dist}/js/example/system/message.json +0 -0
  174. /package/{lib → dist}/js/example/system/owner.json +0 -0
  175. /package/{lib → dist}/js/example/workflow/subworkflow.json +0 -0
  176. /package/{lib → dist}/js/example/workflow/unit/assignment.json +0 -0
  177. /package/{lib → dist}/js/example/workflow/unit/condition.json +0 -0
  178. /package/{lib → dist}/js/example/workflow/unit/execution.json +0 -0
  179. /package/{lib → dist}/js/example/workflow/unit/input/_inputItemScope.json +0 -0
  180. /package/{lib → dist}/js/example/workflow/unit/io/api.json +0 -0
  181. /package/{lib → dist}/js/example/workflow/unit/io/db.json +0 -0
  182. /package/{lib → dist}/js/example/workflow/unit/io/object_storage.json +0 -0
  183. /package/{lib → dist}/js/example/workflow/unit/io.json +0 -0
  184. /package/{lib → dist}/js/example/workflow/unit/map.json +0 -0
  185. /package/{lib → dist}/js/example/workflow/unit/processing.json +0 -0
  186. /package/{lib → dist}/js/example/workflow/unit/reduce.json +0 -0
  187. /package/{lib → dist}/js/example/workflow/unit/runtime/runtime_items.json +0 -0
  188. /package/{lib → dist}/js/example/workflow.json +0 -0
  189. /package/{lib → dist}/js/json_include/index.d.ts +0 -0
  190. /package/{lib → dist}/js/json_include/index.js +0 -0
  191. /package/{lib → dist}/js/json_include/settings.d.ts +0 -0
  192. /package/{lib → dist}/js/json_include/settings.js +0 -0
  193. /package/{lib → dist}/js/schema/3pse/db/nist_jarvis/2024.3.13/atoms.json +0 -0
  194. /package/{lib → dist}/js/schema/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -0
  195. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_positions.json +0 -0
  196. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_species.json +0 -0
  197. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell.json +0 -0
  198. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell_parameters.json +0 -0
  199. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/control.json +0 -0
  200. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/electrons.json +0 -0
  201. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/hubbard.json +0 -0
  202. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/ions.json +0 -0
  203. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/k_points.json +0 -0
  204. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x/system.json +0 -0
  205. /package/{lib → dist}/js/schema/3pse/file/applications/espresso/7.2/pw.x.json +0 -0
  206. /package/{lib → dist}/js/schema/core/abstract/2d_data.json +0 -0
  207. /package/{lib → dist}/js/schema/core/abstract/2d_plot.json +0 -0
  208. /package/{lib → dist}/js/schema/core/abstract/3d_grid.json +0 -0
  209. /package/{lib → dist}/js/schema/core/abstract/3d_tensor.json +0 -0
  210. /package/{lib → dist}/js/schema/core/abstract/3d_vector_basis.json +0 -0
  211. /package/{lib → dist}/js/schema/core/abstract/point.json +0 -0
  212. /package/{lib → dist}/js/schema/core/abstract/vector.json +0 -0
  213. /package/{lib → dist}/js/schema/core/primitive/1d_data_series.json +0 -0
  214. /package/{lib → dist}/js/schema/core/primitive/3d_lattice.json +0 -0
  215. /package/{lib → dist}/js/schema/core/primitive/array_of_3_booleans.json +0 -0
  216. /package/{lib → dist}/js/schema/core/primitive/array_of_3_numbers.json +0 -0
  217. /package/{lib → dist}/js/schema/core/primitive/array_of_ids.json +0 -0
  218. /package/{lib → dist}/js/schema/core/primitive/array_of_strings.json +0 -0
  219. /package/{lib → dist}/js/schema/core/primitive/axis.json +0 -0
  220. /package/{lib → dist}/js/schema/core/primitive/group_info.json +0 -0
  221. /package/{lib → dist}/js/schema/core/primitive/integer_one_or_zero.json +0 -0
  222. /package/{lib → dist}/js/schema/core/primitive/linked_list/base_node.json +0 -0
  223. /package/{lib → dist}/js/schema/core/primitive/linked_list/named_node.json +0 -0
  224. /package/{lib → dist}/js/schema/core/primitive/linked_list/named_node_in_group.json +0 -0
  225. /package/{lib → dist}/js/schema/core/primitive/linked_list/node_with_type.json +0 -0
  226. /package/{lib → dist}/js/schema/core/primitive/linked_list.json +0 -0
  227. /package/{lib → dist}/js/schema/core/primitive/scalar.json +0 -0
  228. /package/{lib → dist}/js/schema/core/primitive/slugified_entry.json +0 -0
  229. /package/{lib → dist}/js/schema/core/primitive/slugified_entry_or_slug.json +0 -0
  230. /package/{lib → dist}/js/schema/core/primitive/string.json +0 -0
  231. /package/{lib → dist}/js/schema/core/reference/exabyte.json +0 -0
  232. /package/{lib → dist}/js/schema/core/reference/experiment/condition.json +0 -0
  233. /package/{lib → dist}/js/schema/core/reference/experiment/location.json +0 -0
  234. /package/{lib → dist}/js/schema/core/reference/experiment.json +0 -0
  235. /package/{lib → dist}/js/schema/core/reference/literature/name.json +0 -0
  236. /package/{lib → dist}/js/schema/core/reference/literature/pages.json +0 -0
  237. /package/{lib → dist}/js/schema/core/reference/literature.json +0 -0
  238. /package/{lib → dist}/js/schema/core/reference/modeling/exabyte.json +0 -0
  239. /package/{lib → dist}/js/schema/core/reference/modeling.json +0 -0
  240. /package/{lib → dist}/js/schema/core/reference.json +0 -0
  241. /package/{lib → dist}/js/schema/core/reusable/atomic_data/per_orbital.json +0 -0
  242. /package/{lib → dist}/js/schema/core/reusable/atomic_data/per_orbital_pair.json +0 -0
  243. /package/{lib → dist}/js/schema/core/reusable/atomic_data/value_number.json +0 -0
  244. /package/{lib → dist}/js/schema/core/reusable/atomic_data/value_string.json +0 -0
  245. /package/{lib → dist}/js/schema/core/reusable/atomic_data_per_orbital_numeric.json +0 -0
  246. /package/{lib → dist}/js/schema/core/reusable/atomic_data_per_orbital_pair_numeric.json +0 -0
  247. /package/{lib → dist}/js/schema/core/reusable/atomic_orbital.json +0 -0
  248. /package/{lib → dist}/js/schema/core/reusable/atomic_scalars.json +0 -0
  249. /package/{lib → dist}/js/schema/core/reusable/atomic_strings.json +0 -0
  250. /package/{lib → dist}/js/schema/core/reusable/atomic_vectors.json +0 -0
  251. /package/{lib → dist}/js/schema/core/reusable/band_gap.json +0 -0
  252. /package/{lib → dist}/js/schema/core/reusable/categories.json +0 -0
  253. /package/{lib → dist}/js/schema/core/reusable/category_path.json +0 -0
  254. /package/{lib → dist}/js/schema/core/reusable/dielectric_tensor_component.json +0 -0
  255. /package/{lib → dist}/js/schema/core/reusable/energy.json +0 -0
  256. /package/{lib → dist}/js/schema/core/reusable/file_metadata.json +0 -0
  257. /package/{lib → dist}/js/schema/core/reusable/frequency_function_matrix.json +0 -0
  258. /package/{lib → dist}/js/schema/core/reusable/object_storage_container_data.json +0 -0
  259. /package/{lib → dist}/js/schema/definitions/units.json +0 -0
  260. /package/{lib → dist}/js/schema/element.json +0 -0
  261. /package/{lib → dist}/js/schema/in_memory_entity/base.json +0 -0
  262. /package/{lib → dist}/js/schema/in_memory_entity/defaultable.json +0 -0
  263. /package/{lib → dist}/js/schema/in_memory_entity/named.json +0 -0
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  507. /package/{lib → dist}/js/schema/software_directory/ml/unit/processing.json +0 -0
  508. /package/{lib → dist}/js/schema/software_directory/modeling/deepmd.json +0 -0
  509. /package/{lib → dist}/js/schema/software_directory/modeling/espresso/arguments.json +0 -0
  510. /package/{lib → dist}/js/schema/software_directory/modeling/espresso.json +0 -0
  511. /package/{lib → dist}/js/schema/software_directory/modeling/nwchem.json +0 -0
  512. /package/{lib → dist}/js/schema/software_directory/modeling/unit/execution.json +0 -0
  513. /package/{lib → dist}/js/schema/software_directory/modeling/vasp.json +0 -0
  514. /package/{lib → dist}/js/schema/software_directory/scripting/jupyter_lab.json +0 -0
  515. /package/{lib → dist}/js/schema/software_directory/scripting/python.json +0 -0
  516. /package/{lib → dist}/js/schema/software_directory/scripting/shell.json +0 -0
  517. /package/{lib → dist}/js/schema/software_directory/scripting/unit/execution.json +0 -0
  518. /package/{lib → dist}/js/schema/system/_material.json +0 -0
  519. /package/{lib → dist}/js/schema/system/_parent_job.json +0 -0
  520. /package/{lib → dist}/js/schema/system/_project.json +0 -0
  521. /package/{lib → dist}/js/schema/system/bankable.json +0 -0
  522. /package/{lib → dist}/js/schema/system/consistency_check.json +0 -0
  523. /package/{lib → dist}/js/schema/system/creator.json +0 -0
  524. /package/{lib → dist}/js/schema/system/creator_account.json +0 -0
  525. /package/{lib → dist}/js/schema/system/database_source.json +0 -0
  526. /package/{lib → dist}/js/schema/system/defaultable.json +0 -0
  527. /package/{lib → dist}/js/schema/system/description.json +0 -0
  528. /package/{lib → dist}/js/schema/system/entity_reference.json +0 -0
  529. /package/{lib → dist}/js/schema/system/file_source.json +0 -0
  530. /package/{lib → dist}/js/schema/system/history.json +0 -0
  531. /package/{lib → dist}/js/schema/system/iframe_message.json +0 -0
  532. /package/{lib → dist}/js/schema/system/in_set.json +0 -0
  533. /package/{lib → dist}/js/schema/system/is_multi_material.json +0 -0
  534. /package/{lib → dist}/js/schema/system/is_outdated.json +0 -0
  535. /package/{lib → dist}/js/schema/system/job_extended.json +0 -0
  536. /package/{lib → dist}/js/schema/system/message.json +0 -0
  537. /package/{lib → dist}/js/schema/system/metadata.json +0 -0
  538. /package/{lib → dist}/js/schema/system/name.json +0 -0
  539. /package/{lib → dist}/js/schema/system/owner.json +0 -0
  540. /package/{lib → dist}/js/schema/system/path.json +0 -0
  541. /package/{lib → dist}/js/schema/system/path_entity.json +0 -0
  542. /package/{lib → dist}/js/schema/system/schema_version.json +0 -0
  543. /package/{lib → dist}/js/schema/system/scope.json +0 -0
  544. /package/{lib → dist}/js/schema/system/set.json +0 -0
  545. /package/{lib → dist}/js/schema/system/sharing.json +0 -0
  546. /package/{lib → dist}/js/schema/system/soft_removable.json +0 -0
  547. /package/{lib → dist}/js/schema/system/status.json +0 -0
  548. /package/{lib → dist}/js/schema/system/tags.json +0 -0
  549. /package/{lib → dist}/js/schema/system/timestampable.json +0 -0
  550. /package/{lib → dist}/js/schema/system/use_values.json +0 -0
  551. /package/{lib → dist}/js/schema/workflow/base.json +0 -0
  552. /package/{lib → dist}/js/schema/workflow/base_flow.json +0 -0
  553. /package/{lib → dist}/js/schema/workflow/scope.json +0 -0
  554. /package/{lib → dist}/js/schema/workflow/subworkflow/unit.json +0 -0
  555. /package/{lib → dist}/js/schema/workflow/subworkflow.json +0 -0
  556. /package/{lib → dist}/js/schema/workflow/unit/assertion.json +0 -0
  557. /package/{lib → dist}/js/schema/workflow/unit/assignment.json +0 -0
  558. /package/{lib → dist}/js/schema/workflow/unit/base.json +0 -0
  559. /package/{lib → dist}/js/schema/workflow/unit/condition.json +0 -0
  560. /package/{lib → dist}/js/schema/workflow/unit/execution.json +0 -0
  561. /package/{lib → dist}/js/schema/workflow/unit/input/_input.json +0 -0
  562. /package/{lib → dist}/js/schema/workflow/unit/input/_inputItem.json +0 -0
  563. /package/{lib → dist}/js/schema/workflow/unit/input/_inputItemId.json +0 -0
  564. /package/{lib → dist}/js/schema/workflow/unit/input/_inputItemScope.json +0 -0
  565. /package/{lib → dist}/js/schema/workflow/unit/input/_map_input/values.json +0 -0
  566. /package/{lib → dist}/js/schema/workflow/unit/input/_map_input.json +0 -0
  567. /package/{lib → dist}/js/schema/workflow/unit/io/api.json +0 -0
  568. /package/{lib → dist}/js/schema/workflow/unit/io/db.json +0 -0
  569. /package/{lib → dist}/js/schema/workflow/unit/io/object_storage.json +0 -0
  570. /package/{lib → dist}/js/schema/workflow/unit/io.json +0 -0
  571. /package/{lib → dist}/js/schema/workflow/unit/map.json +0 -0
  572. /package/{lib → dist}/js/schema/workflow/unit/processing.json +0 -0
  573. /package/{lib → dist}/js/schema/workflow/unit/reduce.json +0 -0
  574. /package/{lib → dist}/js/schema/workflow/unit/runtime/_runtime_item_full_object.json +0 -0
  575. /package/{lib → dist}/js/schema/workflow/unit/runtime/_runtime_item_name_object.json +0 -0
  576. /package/{lib → dist}/js/schema/workflow/unit/runtime/_runtime_item_string.json +0 -0
  577. /package/{lib → dist}/js/schema/workflow/unit/runtime/runtime_item.json +0 -0
  578. /package/{lib → dist}/js/schema/workflow/unit/runtime/runtime_items.json +0 -0
  579. /package/{lib → dist}/js/schema/workflow/unit/subworkflow.json +0 -0
  580. /package/{lib → dist}/js/schema/workflow/unit.json +0 -0
  581. /package/{lib → dist}/js/schema/workflow.json +0 -0
  582. /package/{lib → dist}/js/scripts/compileTs.d.ts +0 -0
  583. /package/{lib → dist}/js/scripts/compileTs.js +0 -0
  584. /package/{lib → dist}/js/scripts/createEnumsFromYaml.d.ts +0 -0
  585. /package/{lib → dist}/js/scripts/createEnumsFromYaml.js +0 -0
  586. /package/{lib → dist}/js/scripts/setSchemaIds.d.ts +0 -0
  587. /package/{lib → dist}/js/scripts/setSchemaIds.js +0 -0
  588. /package/{lib → dist}/js/utils/ajv.d.ts +0 -0
  589. /package/{lib → dist}/js/utils/ajv.js +0 -0
  590. /package/{lib → dist}/js/utils/common.d.ts +0 -0
  591. /package/{lib → dist}/js/utils/common.js +0 -0
  592. /package/{lib → dist}/js/utils/filesystem.d.ts +0 -0
  593. /package/{lib → dist}/js/utils/filesystem.js +0 -0
package/.eslintrc.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "extends": ["@exabyte-io/eslint-config"],
3
- "ignorePatterns": ["lib/js/**/*.js", "lib/js/**/*.ts"],
3
+ "ignorePatterns": ["dist/js/**/*.js", "dist/js/**/*.ts"],
4
4
  "settings": {
5
5
  "import/resolver": {
6
6
  "node": {
package/build_schemas.js CHANGED
@@ -4,7 +4,7 @@
4
4
  * downstream consumption to avoid FS calls in the browser.
5
5
  */
6
6
  const fs = require("fs");
7
- const JSONSchemasGenerator = require("./lib/js/esse/JSONSchemasGenerator").default;
7
+ const JSONSchemasGenerator = require("./dist/js/esse/JSONSchemasGenerator").default;
8
8
 
9
9
  // JS Modules
10
10
 
package/compile_ts.ts CHANGED
@@ -1,3 +1,3 @@
1
1
  import compileTS from "./src/js/scripts/compileTs";
2
2
 
3
- compileTS("./lib/js/schema", `./lib/js/types.ts`);
3
+ compileTS("./dist/js/schema", `./dist/js/types.ts`);
@@ -4,6 +4,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
4
4
  };
5
5
  Object.defineProperty(exports, "__esModule", { value: true });
6
6
  exports.parseIncludeReferenceStatementsByDir = exports.parseIncludeReferenceStatements = void 0;
7
+ // @ts-ignore
7
8
  const json_schema_deref_sync_1 = __importDefault(require("json-schema-deref-sync"));
8
9
  const path_1 = __importDefault(require("path"));
9
10
  const json_include_1 = require("../json_include");
@@ -53,6 +53,20 @@
53
53
  }
54
54
  }
55
55
  },
56
+ "labels": {
57
+ "description": "Optional numeric label (e.g., 1, 2, as in Fe1, Fe2) to distinguish same atomic species to attach different spin magnetic moment.",
58
+ "type": "array",
59
+ "items": {
60
+ "properties": {
61
+ "id": {
62
+ "type": "number"
63
+ },
64
+ "value": {
65
+ "type": "number"
66
+ }
67
+ }
68
+ }
69
+ },
56
70
  "coordinates": {
57
71
  "type": "array",
58
72
  "items": {
@@ -36,6 +36,20 @@
36
36
  }
37
37
  }
38
38
  },
39
+ "labels": {
40
+ "description": "Optional numeric label (e.g., 1, 2, as in Fe1, Fe2) to distinguish same atomic species to attach different spin magnetic moment.",
41
+ "type": "array",
42
+ "items": {
43
+ "properties": {
44
+ "id": {
45
+ "type": "number"
46
+ },
47
+ "value": {
48
+ "type": "number"
49
+ }
50
+ }
51
+ }
52
+ },
39
53
  "coordinates": {
40
54
  "type": "array",
41
55
  "items": {