@mat3ra/esse 2024.4.8-1 → 2024.4.8-2

package/dist/py/software_directory/scripting/python.py

@@ -1,129 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  software_directory/scripting/python.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Optional
-
-from pydantic import BaseModel, ConfigDict, Field
-
-
-class Name(Enum):
-    python = "python"
-
-
-class Flavor(Enum):
-    python2 = "python2"
-    python3 = "python3"
-
-
-class Summary(Enum):
-    Python_Script = "Python Script"
-
-
-class Version(Enum):
-    field_2_7_5 = "2.7.5"
-    field_3_6_1 = "3.6.1"
-
-
-class Exec(Enum):
-    python = "python"
-
-
-class Name158(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class ConsistencyCheck(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name158
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class PythonProgramingLanguageSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    name: Optional[Name] = None
-    """
-    entity name
-    """
-    flavor: Optional[Flavor] = None
-    summary: Optional[Summary] = None
-    """
-    Application's short description.
-    """
-    version: Optional[Version] = None
-    """
-    Application version. e.g. 5.3.5
-    """
-    exec: Optional[Exec] = None
-    arguments: Optional[str] = None
-    """
-    Optional arguments passed to the Python script
-    """
-    environment: Optional[Dict[str, Any]] = None
-    """
-    Optional environment variables exported before running the Python script
-    """
-    dependencies: Optional[List] = None
-    """
-    Optional Python dependencies, e.g. amqp==1.4.6
-    """
-    shortName: Optional[str] = None
-    """
-    The short name of the application. e.g. qe
-    """
-    build: Optional[str] = None
-    """
-    Application build. e.g. VTST
-    """
-    hasAdvancedComputeOptions: Optional[bool] = None
-    """
-    Whether advanced compute options are present
-    """
-    isLicensed: Optional[bool] = None
-    """
-    Whether licensing is present
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """

package/dist/py/software_directory/scripting/shell.py

@@ -1,129 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  software_directory/scripting/shell.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Optional
-
-from pydantic import BaseModel, ConfigDict, Field
-
-
-class Name(Enum):
-    shell = "shell"
-
-
-class Flavor(Enum):
-    sh = "sh"
-    bash = "bash"
-    zsh = "zsh"
-    csh = "csh"
-
-
-class Summary(Enum):
-    Shell_Script = "Shell Script"
-
-
-class Version(Enum):
-    field_4_2_46 = "4.2.46"
-
-
-class Exec(Enum):
-    sh = "sh"
-    bash = "bash"
-    zsh = "zsh"
-    csh = "csh"
-
-
-class Name170(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class ConsistencyCheck(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name170
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class ShellScriptingLanguageSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    name: Optional[Name] = None
-    """
-    entity name
-    """
-    flavor: Optional[Flavor] = None
-    summary: Optional[Summary] = None
-    """
-    Application's short description.
-    """
-    version: Optional[Version] = None
-    """
-    Application version. e.g. 5.3.5
-    """
-    exec: Optional[Exec] = None
-    arguments: Optional[str] = None
-    """
-    Optional arguments passed to the Shell script
-    """
-    environment: Optional[Dict[str, Any]] = None
-    """
-    Optional environment variables exported before running the Shell script
-    """
-    shortName: Optional[str] = None
-    """
-    The short name of the application. e.g. qe
-    """
-    build: Optional[str] = None
-    """
-    Application build. e.g. VTST
-    """
-    hasAdvancedComputeOptions: Optional[bool] = None
-    """
-    Whether advanced compute options are present
-    """
-    isLicensed: Optional[bool] = None
-    """
-    Whether licensing is present
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """

package/dist/py/software_directory/scripting/unit/__init__.py

@@ -1,3 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  schema
-#   version:   0.25.5

package/dist/py/software_directory/scripting/unit/execution.py

@@ -1,390 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  software_directory/scripting/unit/execution.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Optional, Union
-
-from pydantic import BaseModel, ConfigDict, Field
-
-
-class Type(Enum):
-    execution = "execution"
-
-
-class Name(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class ConsistencyCheck(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class ApplicationSchemaBase(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    shortName: Optional[str] = None
-    """
-    The short name of the application. e.g. qe
-    """
-    summary: Optional[str] = None
-    """
-    Application's short description.
-    """
-    version: Optional[str] = None
-    """
-    Application version. e.g. 5.3.5
-    """
-    build: Optional[str] = None
-    """
-    Application build. e.g. VTST
-    """
-    hasAdvancedComputeOptions: Optional[bool] = None
-    """
-    Whether advanced compute options are present
-    """
-    isLicensed: Optional[bool] = None
-    """
-    Whether licensing is present
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-
-
-class ConsistencyCheck23(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class NameResultSchema(BaseModel):
-    name: str
-    """
-    The name of this item. e.g. scf_accuracy
-    """
-
-
-class ExecutableSchema(BaseModel):
-    name: str
-    """
-    The name of the executable. e.g. pw.x
-    """
-    applicationId: Optional[List[str]] = None
-    """
-    _ids of the application this executable belongs to
-    """
-    hasAdvancedComputeOptions: Optional[bool] = None
-    """
-    Whether advanced compute options are present
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck23]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    preProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the pre-processors for this calculation
-    """
-    postProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the post-processors for this calculation
-    """
-    monitors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the monitors for this calculation
-    """
-    results: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the results for this calculation
-    """
-
-
-class ExecutionUnitInputIdItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
-    model_config = ConfigDict(
-        extra="forbid",
-    )
-    templateId: Optional[str] = None
-    templateName: Optional[str] = None
-    name: Optional[str] = None
-    """
-    name of the resulting input file, if different than template name
-    """
-
-
-class ConsistencyCheck24(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class FlavorSchema(BaseModel):
-    executableId: Optional[str] = None
-    """
-    _id of the executable this flavor belongs to
-    """
-    executableName: Optional[str] = None
-    """
-    name of the executable this flavor belongs to
-    """
-    applicationName: Optional[str] = None
-    """
-    name of the application this flavor belongs to
-    """
-    input: Optional[List[ExecutionUnitInputIdItemSchemaForPhysicsBasedSimulationEngines]] = Field(
-        None, title="execution unit input schema"
-    )
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck24]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    preProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the pre-processors for this calculation
-    """
-    postProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the post-processors for this calculation
-    """
-    monitors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the monitors for this calculation
-    """
-    results: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the results for this calculation
-    """
-
-
-class ExecutionUnitInputItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
-    name: str
-    """
-    Input file name. e.g. pw_scf.in
-    """
-    content: str
-    """
-    Content of the input file. e.g. &CONTROL    calculation='scf' ...
-    """
-
-
-class Status(Enum):
-    idle = "idle"
-    active = "active"
-    warning = "warning"
-    error = "error"
-    finished = "finished"
-
-
-class ConsistencyCheck25(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class StatusTrackItem(BaseModel):
-    trackedAt: float
-    status: str
-    repetition: Optional[float] = None
-
-
-class ExecutionUnitSchemaForScriptingBasedApplications(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    type: Type
-    """
-    type of the unit
-    """
-    application: ApplicationSchemaBase = Field(..., title="application schema (base)")
-    executable: Optional[ExecutableSchema] = Field(None, title="executable schema")
-    flavor: Optional[FlavorSchema] = Field(None, title="flavor schema")
-    input: List[
-        Union[
-            ExecutionUnitInputItemSchemaForPhysicsBasedSimulationEngines,
-            ExecutionUnitInputIdItemSchemaForPhysicsBasedSimulationEngines,
-        ]
-    ] = Field(..., title="execution unit input schema")
-    """
-    unit input (type to be specified by the application's execution unit)
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    isDraft: Optional[bool] = None
-    name: Optional[str] = None
-    """
-    name of the unit. e.g. pw_scf
-    """
-    status: Optional[Status] = None
-    """
-    Status of the unit.
-    """
-    head: Optional[bool] = None
-    """
-    Whether this unit is the first one to be executed.
-    """
-    flowchartId: str
-    """
-    Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
-    """
-    next: Optional[str] = None
-    """
-    Next unit's flowchartId. If empty, the current unit is the last.
-    """
-    enableRender: Optional[bool] = None
-    """
-    Whether Rupy should attempt to use Jinja templating to add context variables into the unit
-    """
-    context: Optional[Dict[str, Any]] = None
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck25]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    preProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the pre-processors for this calculation
-    """
-    postProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the post-processors for this calculation
-    """
-    monitors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the monitors for this calculation
-    """
-    results: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the results for this calculation
-    """
-    tags: Optional[List[str]] = None
-    """
-    entity tags
-    """
-    statusTrack: Optional[List[StatusTrackItem]] = None

package/dist/py/system/__init__.py

@@ -1,3 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  schema
-#   version:   0.25.5

package/dist/py/system/_material.py

@@ -1,29 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  system/_material.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Optional
-
-from pydantic import BaseModel, Field
-
-
-class Cls(Enum):
-    Material = "Material"
-
-
-class MaterialEntityReferenceSchema(BaseModel):
-    cls: Optional[Cls] = None
-    """
-    Material class
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """