@mat3ra/esse 2024.3.20-0 → 2024.3.25-0

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 (596) hide show
  1. package/.eslintrc.json +1 -1
  2. package/{build_schemas.js → build_schemas.ts} +3 -2
  3. package/compile_ts.ts +1 -1
  4. package/{lib → dist}/js/esse/utils.js +1 -0
  5. package/{lib → dist}/js/utils/ajv.js +4 -0
  6. package/package.json +31 -25
  7. package/schema/system/timestampable.json +2 -16
  8. package/src/js/esse/utils.ts +1 -0
  9. package/src/js/utils/ajv.ts +5 -1
  10. package/tsconfig-transpile.json +3 -0
  11. package/tsconfig.json +1 -32
  12. package/lib/js/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -91
  13. package/lib/js/example/3pse/file/applications/espresso/7.2/pw.x.json +0 -94
  14. package/lib/js/example/core/abstract/2d_data.json +0 -19
  15. package/lib/js/example/core/abstract/2d_plot.json +0 -26
  16. package/lib/js/example/core/abstract/3d_grid.json +0 -12
  17. package/lib/js/example/core/abstract/3d_tensor.json +0 -17
  18. package/lib/js/example/core/abstract/3d_vector_basis.json +0 -17
  19. package/lib/js/example/core/abstract/point.json +0 -5
  20. package/lib/js/example/core/abstract/vector.json +0 -5
  21. package/lib/js/example/core/primitive/1d_data_series.json +0 -12
  22. package/lib/js/example/core/primitive/3d_lattice.json +0 -8
  23. package/lib/js/example/core/primitive/array_of_3_booleans.json +0 -5
  24. package/lib/js/example/core/primitive/array_of_3_numbers.json +0 -5
  25. package/lib/js/example/core/primitive/array_of_ids.json +0 -8
  26. package/lib/js/example/core/primitive/axis.json +0 -4
  27. package/lib/js/example/core/primitive/scalar.json +0 -3
  28. package/lib/js/example/core/primitive/string.json +0 -3
  29. package/lib/js/example/core/reference/experiment/condition.json +0 -12
  30. package/lib/js/example/core/reference/experiment/location.json +0 -4
  31. package/lib/js/example/core/reference/experiment.json +0 -38
  32. package/lib/js/example/core/reference/literature/name.json +0 -5
  33. package/lib/js/example/core/reference/literature/pages.json +0 -4
  34. package/lib/js/example/core/reference/literature.json +0 -10
  35. package/lib/js/example/core/reference/modeling/exabyte.json +0 -9
  36. package/lib/js/example/core/reference/modeling.json +0 -9
  37. package/lib/js/example/core/reference.json +0 -9
  38. package/lib/js/example/core/reusable/atomic_vectors.json +0 -18
  39. package/lib/js/example/core/reusable/band_gap.json +0 -16
  40. package/lib/js/example/core/reusable/energy.json +0 -5
  41. package/lib/js/example/core/reusable/file_metadata.json +0 -5
  42. package/lib/js/example/core/reusable/object_storage_container_data.json +0 -8
  43. package/lib/js/example/element.json +0 -17
  44. package/lib/js/example/job/compute.json +0 -26
  45. package/lib/js/example/job.json +0 -183
  46. package/lib/js/example/material.json +0 -128
  47. package/lib/js/example/method/categorized_method.json +0 -47
  48. package/lib/js/example/method/method_parameters.json +0 -3
  49. package/lib/js/example/method.json +0 -7
  50. package/lib/js/example/methods_directory/legacy/localorbital.json +0 -4
  51. package/lib/js/example/methods_directory/legacy/pseudopotential.json +0 -4
  52. package/lib/js/example/methods_directory/legacy/regression.json +0 -61
  53. package/lib/js/example/methods_directory/legacy/unknown.json +0 -4
  54. package/lib/js/example/methods_directory/mathematical/cg.json +0 -10
  55. package/lib/js/example/methods_directory/mathematical/regression.json +0 -65
  56. package/lib/js/example/methods_directory/physical/ao/dunning.json +0 -13
  57. package/lib/js/example/methods_directory/physical/psp/file.json +0 -54
  58. package/lib/js/example/methods_directory/physical/psp.json +0 -67
  59. package/lib/js/example/methods_directory/physical/pw.json +0 -9
  60. package/lib/js/example/methods_directory/physical/smearing.json +0 -10
  61. package/lib/js/example/methods_directory/physical/tetrahedron.json +0 -10
  62. package/lib/js/example/model/categorized_model.json +0 -77
  63. package/lib/js/example/model/model_parameters.json +0 -7
  64. package/lib/js/example/model.json +0 -11
  65. package/lib/js/example/models_category/pb/qm/abin/gw.json +0 -7
  66. package/lib/js/example/models_category/pb/qm/dft/ksdft.json +0 -6
  67. package/lib/js/example/models_category/pb/qm/semp.json +0 -5
  68. package/lib/js/example/models_directory/gga.json +0 -15
  69. package/lib/js/example/models_directory/gw.json +0 -15
  70. package/lib/js/example/models_directory/hybrid.json +0 -15
  71. package/lib/js/example/models_directory/lda.json +0 -15
  72. package/lib/js/example/models_directory/legacy/dft.json +0 -12
  73. package/lib/js/example/models_directory/legacy/ml.json +0 -11
  74. package/lib/js/example/models_directory/legacy/unknown.json +0 -11
  75. package/lib/js/example/models_directory/re.json +0 -10
  76. package/lib/js/example/project.json +0 -25
  77. package/lib/js/example/properties_directory/electronic_configuration.json +0 -4
  78. package/lib/js/example/properties_directory/elemental/atomic_radius.json +0 -4
  79. package/lib/js/example/properties_directory/elemental/electronegativity.json +0 -4
  80. package/lib/js/example/properties_directory/elemental/ionization_potential.json +0 -4
  81. package/lib/js/example/properties_directory/non_scalar/band_gaps.json +0 -25
  82. package/lib/js/example/properties_directory/non_scalar/band_structure.json +0 -47
  83. package/lib/js/example/properties_directory/non_scalar/charge_density_profile.json +0 -22
  84. package/lib/js/example/properties_directory/non_scalar/density_of_states.json +0 -55
  85. package/lib/js/example/properties_directory/non_scalar/dielectric_tensor.json +0 -133
  86. package/lib/js/example/properties_directory/non_scalar/file_content.json +0 -13
  87. package/lib/js/example/properties_directory/non_scalar/hubbard_u.json +0 -24
  88. package/lib/js/example/properties_directory/non_scalar/hubbard_v.json +0 -22
  89. package/lib/js/example/properties_directory/non_scalar/hubbard_v_nn.json +0 -24
  90. package/lib/js/example/properties_directory/non_scalar/phonon_dispersions.json +0 -41
  91. package/lib/js/example/properties_directory/non_scalar/phonon_dos.json +0 -37
  92. package/lib/js/example/properties_directory/non_scalar/potential_profile.json +0 -32
  93. package/lib/js/example/properties_directory/non_scalar/reaction_energy_profile.json +0 -30
  94. package/lib/js/example/properties_directory/non_scalar/stress_tensor.json +0 -21
  95. package/lib/js/example/properties_directory/non_scalar/total_energy_contributions.json +0 -44
  96. package/lib/js/example/properties_directory/non_scalar/vibrational_spectrum.json +0 -25
  97. package/lib/js/example/properties_directory/scalar/electron_affinity.json +0 -5
  98. package/lib/js/example/properties_directory/scalar/fermi_energy.json +0 -5
  99. package/lib/js/example/properties_directory/scalar/formation_energy.json +0 -5
  100. package/lib/js/example/properties_directory/scalar/ionization_potential.json +0 -5
  101. package/lib/js/example/properties_directory/scalar/pressure.json +0 -5
  102. package/lib/js/example/properties_directory/scalar/reaction_energy_barrier.json +0 -5
  103. package/lib/js/example/properties_directory/scalar/surface_energy.json +0 -5
  104. package/lib/js/example/properties_directory/scalar/total_energy.json +0 -5
  105. package/lib/js/example/properties_directory/scalar/total_force.json +0 -5
  106. package/lib/js/example/properties_directory/scalar/valence_band_offset.json +0 -5
  107. package/lib/js/example/properties_directory/scalar/zero_point_energy.json +0 -5
  108. package/lib/js/example/properties_directory/structural/atomic_forces.json +0 -22
  109. package/lib/js/example/properties_directory/structural/basis/atomic_constraints.json +0 -21
  110. package/lib/js/example/properties_directory/structural/basis/atomic_coordinate.json +0 -8
  111. package/lib/js/example/properties_directory/structural/basis/atomic_coordinates.json +0 -21
  112. package/lib/js/example/properties_directory/structural/basis/atomic_element.json +0 -4
  113. package/lib/js/example/properties_directory/structural/basis/bonds.json +0 -24
  114. package/lib/js/example/properties_directory/structural/basis.json +0 -46
  115. package/lib/js/example/properties_directory/structural/density.json +0 -5
  116. package/lib/js/example/properties_directory/structural/elemental_ratio.json +0 -5
  117. package/lib/js/example/properties_directory/structural/inchi.json +0 -4
  118. package/lib/js/example/properties_directory/structural/inchi_key.json +0 -4
  119. package/lib/js/example/properties_directory/structural/lattice/lattice_bravais.json +0 -13
  120. package/lib/js/example/properties_directory/structural/lattice/lattice_vectors.json +0 -19
  121. package/lib/js/example/properties_directory/structural/lattice.json +0 -33
  122. package/lib/js/example/properties_directory/structural/magnetic_moments.json +0 -22
  123. package/lib/js/example/properties_directory/structural/molecular_pattern.json +0 -71
  124. package/lib/js/example/properties_directory/structural/p_norm.json +0 -5
  125. package/lib/js/example/properties_directory/structural/symmetry.json +0 -9
  126. package/lib/js/example/properties_directory/structural/volume.json +0 -5
  127. package/lib/js/example/properties_directory/workflow/convergence/electronic.json +0 -15
  128. package/lib/js/example/properties_directory/workflow/convergence/ionic.json +0 -20
  129. package/lib/js/example/properties_directory/workflow/convergence/kpoint.json +0 -22
  130. package/lib/js/example/property/base.json +0 -31
  131. package/lib/js/example/software/application.json +0 -7
  132. package/lib/js/example/software/executable.json +0 -20
  133. package/lib/js/example/software/flavor.json +0 -9
  134. package/lib/js/example/software/template.json +0 -14
  135. package/lib/js/example/software_directory/ml/exabyteml.json +0 -6
  136. package/lib/js/example/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -20
  137. package/lib/js/example/software_directory/ml/unit/execution/initialize.json +0 -23
  138. package/lib/js/example/software_directory/ml/unit/execution/score.json +0 -18
  139. package/lib/js/example/software_directory/ml/unit/execution/train.json +0 -29
  140. package/lib/js/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -14
  141. package/lib/js/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -26
  142. package/lib/js/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -13
  143. package/lib/js/example/software_directory/modeling/espresso/arguments.json +0 -5
  144. package/lib/js/example/software_directory/modeling/espresso.json +0 -6
  145. package/lib/js/example/software_directory/modeling/nwchem.json +0 -6
  146. package/lib/js/example/software_directory/modeling/unit/execution.json +0 -19
  147. package/lib/js/example/software_directory/modeling/vasp.json +0 -6
  148. package/lib/js/example/software_directory/scripting/jupyter_lab.json +0 -8
  149. package/lib/js/example/software_directory/scripting/python.json +0 -8
  150. package/lib/js/example/software_directory/scripting/shell.json +0 -8
  151. package/lib/js/example/software_directory/scripting/unit/execution.json +0 -22
  152. package/lib/js/example/system/_material.json +0 -5
  153. package/lib/js/example/system/_parent_job.json +0 -5
  154. package/lib/js/example/system/_project.json +0 -5
  155. package/lib/js/example/system/consistency_check.json +0 -6
  156. package/lib/js/example/system/creator.json +0 -5
  157. package/lib/js/example/system/entity_reference.json +0 -5
  158. package/lib/js/example/system/file_source.json +0 -6
  159. package/lib/js/example/system/iframe_message.json +0 -9
  160. package/lib/js/example/system/message.json +0 -16
  161. package/lib/js/example/system/owner.json +0 -5
  162. package/lib/js/example/workflow/subworkflow.json +0 -93
  163. package/lib/js/example/workflow/unit/assignment.json +0 -19
  164. package/lib/js/example/workflow/unit/condition.json +0 -22
  165. package/lib/js/example/workflow/unit/execution.json +0 -66
  166. package/lib/js/example/workflow/unit/input/_inputItemScope.json +0 -4
  167. package/lib/js/example/workflow/unit/io/api.json +0 -31
  168. package/lib/js/example/workflow/unit/io/db.json +0 -15
  169. package/lib/js/example/workflow/unit/io/object_storage.json +0 -12
  170. package/lib/js/example/workflow/unit/io.json +0 -41
  171. package/lib/js/example/workflow/unit/map.json +0 -16
  172. package/lib/js/example/workflow/unit/processing.json +0 -13
  173. package/lib/js/example/workflow/unit/reduce.json +0 -16
  174. package/lib/js/example/workflow/unit/runtime/runtime_items.json +0 -14
  175. package/lib/js/example/workflow.json +0 -129
  176. package/lib/js/schema/3pse/db/nist_jarvis/2024.3.13/atoms.json +0 -79
  177. package/lib/js/schema/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -91
  178. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_positions.json +0 -72
  179. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_species.json +0 -30
  180. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell.json +0 -89
  181. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell_parameters.json +0 -54
  182. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/control.json +0 -181
  183. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/electrons.json +0 -163
  184. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/hubbard.json +0 -219
  185. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/ions.json +0 -216
  186. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/k_points.json +0 -87
  187. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/system.json +0 -652
  188. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x.json +0 -1776
  189. package/lib/js/schema/core/abstract/2d_data.json +0 -31
  190. package/lib/js/schema/core/abstract/2d_plot.json +0 -74
  191. package/lib/js/schema/core/abstract/3d_grid.json +0 -32
  192. package/lib/js/schema/core/abstract/3d_tensor.json +0 -18
  193. package/lib/js/schema/core/abstract/3d_vector_basis.json +0 -43
  194. package/lib/js/schema/core/abstract/point.json +0 -11
  195. package/lib/js/schema/core/abstract/vector.json +0 -27
  196. package/lib/js/schema/core/primitive/1d_data_series.json +0 -16
  197. package/lib/js/schema/core/primitive/3d_lattice.json +0 -40
  198. package/lib/js/schema/core/primitive/array_of_3_booleans.json +0 -11
  199. package/lib/js/schema/core/primitive/array_of_3_numbers.json +0 -11
  200. package/lib/js/schema/core/primitive/array_of_ids.json +0 -16
  201. package/lib/js/schema/core/primitive/array_of_strings.json +0 -11
  202. package/lib/js/schema/core/primitive/axis.json +0 -19
  203. package/lib/js/schema/core/primitive/group_info.json +0 -16
  204. package/lib/js/schema/core/primitive/integer_one_or_zero.json +0 -8
  205. package/lib/js/schema/core/primitive/linked_list/base_node.json +0 -36
  206. package/lib/js/schema/core/primitive/linked_list/named_node.json +0 -40
  207. package/lib/js/schema/core/primitive/linked_list/named_node_in_group.json +0 -48
  208. package/lib/js/schema/core/primitive/linked_list/node_with_type.json +0 -39
  209. package/lib/js/schema/core/primitive/linked_list.json +0 -171
  210. package/lib/js/schema/core/primitive/scalar.json +0 -14
  211. package/lib/js/schema/core/primitive/slugified_entry.json +0 -21
  212. package/lib/js/schema/core/primitive/slugified_entry_or_slug.json +0 -31
  213. package/lib/js/schema/core/primitive/string.json +0 -14
  214. package/lib/js/schema/core/reference/exabyte.json +0 -19
  215. package/lib/js/schema/core/reference/experiment/condition.json +0 -31
  216. package/lib/js/schema/core/reference/experiment/location.json +0 -20
  217. package/lib/js/schema/core/reference/experiment.json +0 -249
  218. package/lib/js/schema/core/reference/literature/name.json +0 -24
  219. package/lib/js/schema/core/reference/literature/pages.json +0 -17
  220. package/lib/js/schema/core/reference/literature.json +0 -131
  221. package/lib/js/schema/core/reference/modeling/exabyte.json +0 -46
  222. package/lib/js/schema/core/reference/modeling.json +0 -52
  223. package/lib/js/schema/core/reference.json +0 -436
  224. package/lib/js/schema/core/reusable/atomic_data/per_orbital.json +0 -22
  225. package/lib/js/schema/core/reusable/atomic_data/per_orbital_pair.json +0 -39
  226. package/lib/js/schema/core/reusable/atomic_data/value_number.json +0 -13
  227. package/lib/js/schema/core/reusable/atomic_data/value_string.json +0 -13
  228. package/lib/js/schema/core/reusable/atomic_data_per_orbital_numeric.json +0 -26
  229. package/lib/js/schema/core/reusable/atomic_data_per_orbital_pair_numeric.json +0 -43
  230. package/lib/js/schema/core/reusable/atomic_orbital.json +0 -32
  231. package/lib/js/schema/core/reusable/atomic_scalars.json +0 -29
  232. package/lib/js/schema/core/reusable/atomic_strings.json +0 -19
  233. package/lib/js/schema/core/reusable/atomic_vectors.json +0 -42
  234. package/lib/js/schema/core/reusable/band_gap.json +0 -64
  235. package/lib/js/schema/core/reusable/categories.json +0 -159
  236. package/lib/js/schema/core/reusable/category_path.json +0 -7
  237. package/lib/js/schema/core/reusable/dielectric_tensor_component.json +0 -46
  238. package/lib/js/schema/core/reusable/energy.json +0 -39
  239. package/lib/js/schema/core/reusable/file_metadata.json +0 -21
  240. package/lib/js/schema/core/reusable/frequency_function_matrix.json +0 -30
  241. package/lib/js/schema/core/reusable/object_storage_container_data.json +0 -32
  242. package/lib/js/schema/definitions/units.json +0 -103
  243. package/lib/js/schema/element.json +0 -103
  244. package/lib/js/schema/in_memory_entity/base.json +0 -65
  245. package/lib/js/schema/in_memory_entity/defaultable.json +0 -70
  246. package/lib/js/schema/in_memory_entity/named.json +0 -69
  247. package/lib/js/schema/in_memory_entity/named_defaultable.json +0 -74
  248. package/lib/js/schema/in_memory_entity/named_defaultable_has_metadata.json +0 -77
  249. package/lib/js/schema/in_memory_entity/named_defaultable_runtime_items.json +0 -194
  250. package/lib/js/schema/job/base.json +0 -378
  251. package/lib/js/schema/job/compute.json +0 -178
  252. package/lib/js/schema/job.json +0 -6866
  253. package/lib/js/schema/material/conventional.json +0 -11
  254. package/lib/js/schema/material.json +0 -645
  255. package/lib/js/schema/method/categorized_method.json +0 -221
  256. package/lib/js/schema/method/method_parameters.json +0 -47
  257. package/lib/js/schema/method/unit_method.json +0 -191
  258. package/lib/js/schema/method.json +0 -28
  259. package/lib/js/schema/methods_category/mathematical/diff/enum_options.json +0 -8
  260. package/lib/js/schema/methods_category/mathematical/diff/fd.json +0 -165
  261. package/lib/js/schema/methods_category/mathematical/diff.json +0 -162
  262. package/lib/js/schema/methods_category/mathematical/discr/enum_options.json +0 -8
  263. package/lib/js/schema/methods_category/mathematical/discr/mesh/enum_options.json +0 -18
  264. package/lib/js/schema/methods_category/mathematical/discr/mesh/hybrid.json +0 -168
  265. package/lib/js/schema/methods_category/mathematical/discr/mesh/nstruct.json +0 -168
  266. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct/cartesian.json +0 -171
  267. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct/enum_options.json +0 -8
  268. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct.json +0 -168
  269. package/lib/js/schema/methods_category/mathematical/discr/mesh.json +0 -165
  270. package/lib/js/schema/methods_category/mathematical/discr.json +0 -162
  271. package/lib/js/schema/methods_category/mathematical/enum_options.json +0 -45
  272. package/lib/js/schema/methods_category/mathematical/fapprx/basisexp.json +0 -165
  273. package/lib/js/schema/methods_category/mathematical/fapprx/enum_options.json +0 -13
  274. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/enum_options.json +0 -18
  275. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/lin.json +0 -168
  276. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/poly.json +0 -168
  277. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/spline.json +0 -168
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  279. package/lib/js/schema/methods_category/mathematical/fapprx.json +0 -162
  280. package/lib/js/schema/methods_category/mathematical/intgr/analytic/enum_options.json +0 -20
  281. package/lib/js/schema/methods_category/mathematical/intgr/analytic/volume.json +0 -178
  282. package/lib/js/schema/methods_category/mathematical/intgr/analytic.json +0 -165
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  564. package/lib/js/schema/workflow/unit/subworkflow.json +0 -267
  565. package/lib/js/schema/workflow/unit.json +0 -3289
  566. package/lib/js/schema/workflow.json +0 -6488
  567. package/lib/js/schemas.json +0 -1
  568. package/modules.d.ts +0 -5
  569. /package/{lib → dist}/js/esse/JSONSchemasGenerator.d.ts +0 -0
  570. /package/{lib → dist}/js/esse/JSONSchemasGenerator.js +0 -0
  571. /package/{lib → dist}/js/esse/JSONSchemasInterface.d.ts +0 -0
  572. /package/{lib → dist}/js/esse/JSONSchemasInterface.js +0 -0
  573. /package/{lib → dist}/js/esse/JSONSchemasInterfaceServer.d.ts +0 -0
  574. /package/{lib → dist}/js/esse/JSONSchemasInterfaceServer.js +0 -0
  575. /package/{lib → dist}/js/esse/schemaUtils.d.ts +0 -0
  576. /package/{lib → dist}/js/esse/schemaUtils.js +0 -0
  577. /package/{lib → dist}/js/esse/settings.d.ts +0 -0
  578. /package/{lib → dist}/js/esse/settings.js +0 -0
  579. /package/{lib → dist}/js/esse/types.d.ts +0 -0
  580. /package/{lib → dist}/js/esse/types.js +0 -0
  581. /package/{lib → dist}/js/esse/utils.d.ts +0 -0
  582. /package/{lib → dist}/js/json_include/index.d.ts +0 -0
  583. /package/{lib → dist}/js/json_include/index.js +0 -0
  584. /package/{lib → dist}/js/json_include/settings.d.ts +0 -0
  585. /package/{lib → dist}/js/json_include/settings.js +0 -0
  586. /package/{lib → dist}/js/scripts/compileTs.d.ts +0 -0
  587. /package/{lib → dist}/js/scripts/compileTs.js +0 -0
  588. /package/{lib → dist}/js/scripts/createEnumsFromYaml.d.ts +0 -0
  589. /package/{lib → dist}/js/scripts/createEnumsFromYaml.js +0 -0
  590. /package/{lib → dist}/js/scripts/setSchemaIds.d.ts +0 -0
  591. /package/{lib → dist}/js/scripts/setSchemaIds.js +0 -0
  592. /package/{lib → dist}/js/utils/ajv.d.ts +0 -0
  593. /package/{lib → dist}/js/utils/common.d.ts +0 -0
  594. /package/{lib → dist}/js/utils/common.js +0 -0
  595. /package/{lib → dist}/js/utils/filesystem.d.ts +0 -0
  596. /package/{lib → dist}/js/utils/filesystem.js +0 -0
@@ -1,286 +0,0 @@
1
- {
2
- "$id": "property/source",
3
- "$schema": "http://json-schema.org/draft-07/schema#",
4
- "title": "The source of a property. This could be an article, a simulation on Exabyte, an external simulation, etc.",
5
- "type": "object",
6
- "properties": {
7
- "type": {
8
- "description": "Type of the material property's source.",
9
- "type": "string"
10
- },
11
- "url": {
12
- "description": "Internet address of the reference.",
13
- "type": "string"
14
- },
15
- "info": {
16
- "oneOf": [
17
- {
18
- "$schema": "http://json-schema.org/draft-07/schema#",
19
- "type": "object",
20
- "properties": {
21
- "materialId": {
22
- "description": "Material's identity. Used for protoProperties.",
23
- "type": "string"
24
- },
25
- "jobId": {
26
- "description": "Job's identity",
27
- "type": "string"
28
- },
29
- "unitId": {
30
- "description": "Id of the unit that extracted the result",
31
- "type": "string"
32
- }
33
- }
34
- },
35
- {
36
- "$schema": "http://json-schema.org/draft-07/schema#",
37
- "title": "info for characteristic obtained by experiment",
38
- "type": "object",
39
- "properties": {
40
- "type": {
41
- "enum": [
42
- "experiment"
43
- ]
44
- },
45
- "authors": {
46
- "description": "experiment authors",
47
- "type": "array",
48
- "items": {
49
- "$schema": "http://json-schema.org/draft-07/schema#",
50
- "title": "experiment author schema",
51
- "type": "object",
52
- "required": [
53
- "first",
54
- "last"
55
- ],
56
- "properties": {
57
- "first": {
58
- "type": "string"
59
- },
60
- "middle": {
61
- "type": "string"
62
- },
63
- "last": {
64
- "type": "string"
65
- },
66
- "affiliation": {
67
- "type": "string"
68
- }
69
- }
70
- }
71
- },
72
- "title": {
73
- "type": "string",
74
- "description": "experiment title"
75
- },
76
- "method": {
77
- "type": "string",
78
- "description": "method used in experiment"
79
- },
80
- "conditions": {
81
- "type": "array",
82
- "items": {
83
- "$schema": "http://json-schema.org/draft-07/schema#",
84
- "title": "condition schema",
85
- "type": "object",
86
- "required": [
87
- "name"
88
- ],
89
- "properties": {
90
- "units": {
91
- "description": "condition unit",
92
- "type": "string"
93
- },
94
- "scalar": {
95
- "description": "array of condition values",
96
- "type": "array",
97
- "items": {
98
- "type": "object",
99
- "properties": {
100
- "value": {
101
- "type": "string"
102
- }
103
- }
104
- }
105
- },
106
- "name": {
107
- "description": "human-readable name of the condition",
108
- "type": "string"
109
- }
110
- }
111
- }
112
- },
113
- "location": {
114
- "$schema": "http://json-schema.org/draft-07/schema#",
115
- "title": "location schema",
116
- "type": "object",
117
- "required": [
118
- "latitude",
119
- "longitude"
120
- ],
121
- "properties": {
122
- "latitude": {
123
- "description": "location latitude",
124
- "type": "number"
125
- },
126
- "longitude": {
127
- "description": "location longitude",
128
- "type": "number"
129
- }
130
- }
131
- },
132
- "timestamp": {
133
- "description": "epoch time.",
134
- "type": "number"
135
- },
136
- "note": {
137
- "description": "Note about experiment",
138
- "type": "string"
139
- },
140
- "references": {
141
- "type": "array",
142
- "description": "references to literature articles",
143
- "items": {
144
- "$schema": "http://json-schema.org/draft-07/schema#",
145
- "title": "literature reference schema",
146
- "type": "object",
147
- "properties": {
148
- "type": {
149
- "enum": [
150
- "literature"
151
- ]
152
- },
153
- "doi": {
154
- "type": "string",
155
- "description": "Digital Object Identifier of the reference."
156
- },
157
- "isbn": {
158
- "type": "string",
159
- "description": "International Standard Book Number of the reference."
160
- },
161
- "issn": {
162
- "type": "string",
163
- "description": "International Standard Serial Number of the reference."
164
- },
165
- "url": {
166
- "type": "string",
167
- "description": "Internet address of the reference."
168
- },
169
- "title": {
170
- "type": "string",
171
- "description": "Title of the work."
172
- },
173
- "publisher": {
174
- "type": "string",
175
- "description": "Publisher of the work."
176
- },
177
- "journal": {
178
- "type": "string",
179
- "description": "Journal in which the work appeared."
180
- },
181
- "volume": {
182
- "type": "string",
183
- "description": "Volume of the series in which the work appeared."
184
- },
185
- "year": {
186
- "type": "string",
187
- "description": "Year in which the reference was published."
188
- },
189
- "issue": {
190
- "type": "string",
191
- "description": "Issue of the collection in which the work appeared."
192
- },
193
- "pages": {
194
- "type": "object",
195
- "description": "Start and end pages of the work.",
196
- "$schema": "http://json-schema.org/draft-07/schema#",
197
- "title": "pages schema",
198
- "required": [
199
- "start"
200
- ],
201
- "properties": {
202
- "start": {
203
- "type": "string"
204
- },
205
- "end": {
206
- "type": "string"
207
- }
208
- }
209
- },
210
- "authors": {
211
- "type": "array",
212
- "description": "List of authors of the work.",
213
- "items": {
214
- "$schema": "http://json-schema.org/draft-07/schema#",
215
- "title": "experiment author schema",
216
- "type": "object",
217
- "required": [
218
- "first",
219
- "last"
220
- ],
221
- "properties": {
222
- "first": {
223
- "type": "string"
224
- },
225
- "middle": {
226
- "type": "string"
227
- },
228
- "last": {
229
- "type": "string"
230
- },
231
- "affiliation": {
232
- "type": "string"
233
- }
234
- }
235
- }
236
- },
237
- "editors": {
238
- "type": "array",
239
- "description": "List of editors of the work.",
240
- "items": {
241
- "$schema": "http://json-schema.org/draft-07/schema#",
242
- "title": "experiment author schema",
243
- "type": "object",
244
- "required": [
245
- "first",
246
- "last"
247
- ],
248
- "properties": {
249
- "first": {
250
- "type": "string"
251
- },
252
- "middle": {
253
- "type": "string"
254
- },
255
- "last": {
256
- "type": "string"
257
- },
258
- "affiliation": {
259
- "type": "string"
260
- }
261
- }
262
- }
263
- },
264
- "reference": {
265
- "type": "array",
266
- "description": "References cited by the work. Reference objects can nest as deeply as needed. This is useful, for example, when tracking the history of a value referenced in a scholarly article; the top level reference would contain information about where the data was accessed while the nested reference would contain information about where it was originally published.",
267
- "items": {
268
- "type": "object"
269
- }
270
- }
271
- }
272
- }
273
- }
274
- },
275
- "required": [
276
- "conditions",
277
- "authors",
278
- "title",
279
- "method",
280
- "timestamp"
281
- ]
282
- }
283
- ]
284
- }
285
- }
286
- }
@@ -1,99 +0,0 @@
1
- {
2
- "$id": "software/application",
3
- "$schema": "http://json-schema.org/draft-07/schema#",
4
- "title": "application schema (base)",
5
- "type": "object",
6
- "additionalProperties": true,
7
- "properties": {
8
- "shortName": {
9
- "description": "The short name of the application. e.g. qe",
10
- "type": "string"
11
- },
12
- "summary": {
13
- "description": "Application's short description.",
14
- "type": "string"
15
- },
16
- "version": {
17
- "description": "Application version. e.g. 5.3.5",
18
- "type": "string"
19
- },
20
- "build": {
21
- "description": "Application build. e.g. VTST",
22
- "type": "string"
23
- },
24
- "hasAdvancedComputeOptions": {
25
- "description": "Whether advanced compute options are present",
26
- "type": "boolean"
27
- },
28
- "isLicensed": {
29
- "description": "Whether licensing is present",
30
- "type": "boolean"
31
- },
32
- "_id": {
33
- "description": "entity identity",
34
- "type": "string"
35
- },
36
- "slug": {
37
- "description": "entity slug",
38
- "type": "string"
39
- },
40
- "systemName": {
41
- "type": "string"
42
- },
43
- "consistencyChecks": {
44
- "type": "array",
45
- "items": {
46
- "$schema": "http://json-schema.org/draft-07/schema#",
47
- "title": "consistency check",
48
- "type": "object",
49
- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
50
- "required": [
51
- "key",
52
- "name",
53
- "severity",
54
- "message"
55
- ],
56
- "properties": {
57
- "key": {
58
- "type": "string",
59
- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
60
- },
61
- "name": {
62
- "enum": [
63
- "default",
64
- "atomsTooClose",
65
- "atomsOverlap"
66
- ],
67
- "description": "Name of the consistency check that is performed, which is listed in an enum."
68
- },
69
- "severity": {
70
- "enum": [
71
- "info",
72
- "warning",
73
- "error"
74
- ],
75
- "description": "Severity level of the problem, which is used in UI to differentiate."
76
- },
77
- "message": {
78
- "type": "string",
79
- "description": "Message generated by the consistency check describing the problem."
80
- }
81
- }
82
- }
83
- },
84
- "schemaVersion": {
85
- "description": "entity's schema version. Used to distinct between different schemas.",
86
- "type": "string",
87
- "default": "2022.8.16"
88
- },
89
- "name": {
90
- "description": "entity name",
91
- "type": "string"
92
- },
93
- "isDefault": {
94
- "description": "Identifies that entity is defaultable",
95
- "type": "boolean",
96
- "default": false
97
- }
98
- }
99
- }
@@ -1,208 +0,0 @@
1
- {
2
- "$id": "software/executable",
3
- "$schema": "http://json-schema.org/draft-07/schema#",
4
- "title": "executable schema",
5
- "type": "object",
6
- "required": [
7
- "name"
8
- ],
9
- "properties": {
10
- "name": {
11
- "description": "The name of the executable. e.g. pw.x",
12
- "type": "string"
13
- },
14
- "applicationId": {
15
- "description": "_ids of the application this executable belongs to",
16
- "type": "array",
17
- "items": {
18
- "type": "string"
19
- }
20
- },
21
- "hasAdvancedComputeOptions": {
22
- "description": "Whether advanced compute options are present",
23
- "type": "boolean"
24
- },
25
- "_id": {
26
- "description": "entity identity",
27
- "type": "string"
28
- },
29
- "slug": {
30
- "description": "entity slug",
31
- "type": "string"
32
- },
33
- "systemName": {
34
- "type": "string"
35
- },
36
- "consistencyChecks": {
37
- "type": "array",
38
- "items": {
39
- "$schema": "http://json-schema.org/draft-07/schema#",
40
- "title": "consistency check",
41
- "type": "object",
42
- "description": "The output of consistency checks performed on data adhering to JSON schema, but inconsistent with scientific or logical rules, to show problems in UI.",
43
- "required": [
44
- "key",
45
- "name",
46
- "severity",
47
- "message"
48
- ],
49
- "properties": {
50
- "key": {
51
- "type": "string",
52
- "description": "Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'"
53
- },
54
- "name": {
55
- "enum": [
56
- "default",
57
- "atomsTooClose",
58
- "atomsOverlap"
59
- ],
60
- "description": "Name of the consistency check that is performed, which is listed in an enum."
61
- },
62
- "severity": {
63
- "enum": [
64
- "info",
65
- "warning",
66
- "error"
67
- ],
68
- "description": "Severity level of the problem, which is used in UI to differentiate."
69
- },
70
- "message": {
71
- "type": "string",
72
- "description": "Message generated by the consistency check describing the problem."
73
- }
74
- }
75
- }
76
- },
77
- "schemaVersion": {
78
- "description": "entity's schema version. Used to distinct between different schemas.",
79
- "type": "string",
80
- "default": "2022.8.16"
81
- },
82
- "isDefault": {
83
- "description": "Identifies that entity is defaultable",
84
- "type": "boolean",
85
- "default": false
86
- },
87
- "preProcessors": {
88
- "description": "names of the pre-processors for this calculation",
89
- "type": "array",
90
- "items": {
91
- "$schema": "http://json-schema.org/draft-07/schema#",
92
- "title": "runtime item schema",
93
- "oneOf": [
94
- {
95
- "$schema": "http://json-schema.org/draft-07/schema#",
96
- "title": "name result schema",
97
- "type": "object",
98
- "properties": {
99
- "name": {
100
- "description": "The name of this item. e.g. scf_accuracy",
101
- "type": "string"
102
- }
103
- },
104
- "required": [
105
- "name"
106
- ]
107
- },
108
- {
109
- "$schema": "http://json-schema.org/draft-07/schema#",
110
- "title": "RuntimeItemString",
111
- "description": "name of runtime item in shortened notation",
112
- "type": "string"
113
- }
114
- ]
115
- }
116
- },
117
- "postProcessors": {
118
- "description": "names of the post-processors for this calculation",
119
- "type": "array",
120
- "items": {
121
- "$schema": "http://json-schema.org/draft-07/schema#",
122
- "title": "runtime item schema",
123
- "oneOf": [
124
- {
125
- "$schema": "http://json-schema.org/draft-07/schema#",
126
- "title": "name result schema",
127
- "type": "object",
128
- "properties": {
129
- "name": {
130
- "description": "The name of this item. e.g. scf_accuracy",
131
- "type": "string"
132
- }
133
- },
134
- "required": [
135
- "name"
136
- ]
137
- },
138
- {
139
- "$schema": "http://json-schema.org/draft-07/schema#",
140
- "title": "RuntimeItemString",
141
- "description": "name of runtime item in shortened notation",
142
- "type": "string"
143
- }
144
- ]
145
- }
146
- },
147
- "monitors": {
148
- "description": "names of the monitors for this calculation",
149
- "type": "array",
150
- "items": {
151
- "$schema": "http://json-schema.org/draft-07/schema#",
152
- "title": "runtime item schema",
153
- "oneOf": [
154
- {
155
- "$schema": "http://json-schema.org/draft-07/schema#",
156
- "title": "name result schema",
157
- "type": "object",
158
- "properties": {
159
- "name": {
160
- "description": "The name of this item. e.g. scf_accuracy",
161
- "type": "string"
162
- }
163
- },
164
- "required": [
165
- "name"
166
- ]
167
- },
168
- {
169
- "$schema": "http://json-schema.org/draft-07/schema#",
170
- "title": "RuntimeItemString",
171
- "description": "name of runtime item in shortened notation",
172
- "type": "string"
173
- }
174
- ]
175
- }
176
- },
177
- "results": {
178
- "description": "names of the results for this calculation",
179
- "type": "array",
180
- "items": {
181
- "$schema": "http://json-schema.org/draft-07/schema#",
182
- "title": "runtime item schema",
183
- "oneOf": [
184
- {
185
- "$schema": "http://json-schema.org/draft-07/schema#",
186
- "title": "name result schema",
187
- "type": "object",
188
- "properties": {
189
- "name": {
190
- "description": "The name of this item. e.g. scf_accuracy",
191
- "type": "string"
192
- }
193
- },
194
- "required": [
195
- "name"
196
- ]
197
- },
198
- {
199
- "$schema": "http://json-schema.org/draft-07/schema#",
200
- "title": "RuntimeItemString",
201
- "description": "name of runtime item in shortened notation",
202
- "type": "string"
203
- }
204
- ]
205
- }
206
- }
207
- }
208
- }