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settings.py
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settings.py
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"""
Settings for defaults in the build pipelines for the Materials Project
"""
from typing import List
from pydantic.fields import Field
from emmet.core.settings import EmmetSettings
from emmet.core.vasp.calc_types import TaskType
from emmet.core.provenance import Author, History
class EmmetBuildSettings(EmmetSettings):
"""
Settings for the emmet-builder module
The default way to modify these is to modify ~/.emmet.json or set the environment variable
EMMET_CONFIG_FILE to point to the json with emmet settings
"""
BUILD_TAGS: List[str] = Field(
[], description="Tags for calculations to build materials"
)
EXCLUDED_TAGS: List[str] = Field(
[],
description="Tags to exclude from materials",
)
DEPRECATED_TAGS: List[str] = Field(
[], description="Tags for calculations to deprecate"
)
VASP_ALLOWED_VASP_TYPES: List[TaskType] = Field(
[t.value for t in TaskType],
description="Allowed task_types to build materials from",
)
DEFAULT_REFERENCE: str = Field(
"@article{Jain2013,\nauthor = {Jain, Anubhav and Ong, Shyue Ping and "
"Hautier, Geoffroy and Chen, Wei and Richards, William Davidson and "
"Dacek, Stephen and Cholia, Shreyas and Gunter, Dan and Skinner, David "
"and Ceder, Gerbrand and Persson, Kristin a.},\n"
"doi = {10.1063/1.4812323},\nissn = {2166532X},\n"
"journal = {APL Materials},\nnumber = {1},\npages = {011002},\n"
"title = {{The Materials Project: A materials genome approach to "
"accelerating materials innovation}},\n"
"url = {http://link.aip.org/link/AMPADS/v1/i1/p011002/s1\\&Agg=doi},\n"
"volume = {1},\nyear = {2013}\n}\n\n@misc{MaterialsProject,\n"
"title = {{Materials Project}},\nurl = {http://www.materialsproject.org}\n}",
description="Default bibtex citation for all provenance",
)
DEFAULT_AUTHOR: Author = Field(
Author(name="Materials Project", email="feedback@materialsproject.org"),
description="Default Author for provenance ",
)
DEFAULT_HISTORY: History = Field(
History(
name="Materials Project Optimized Structure",
url="http://www.materialsproject.org",
),
description="Default History for provenance ",
)