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133 lines (126 loc) · 3.5 KB
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from pathlib import Path
import re
from setuptools import setup, find_packages
module_dir = Path(__file__).resolve().parent
with open(module_dir.joinpath("optimade/__init__.py")) as version_file:
for line in version_file:
match = re.match(r'__version__ = "(.*)"', line)
if match is not None:
VERSION = match.group(1)
break
else:
raise RuntimeError(
f"Could not determine package version from {version_file.name} !"
)
# Dependencies
# Server minded
elastic_deps = ["elasticsearch-dsl~=7.4,<8.0"]
mongo_deps = ["pymongo>=3.12.1,<5", "mongomock~=4.1"]
server_deps = [
"uvicorn~=0.18",
"pyyaml>=5.4,<7", # Keep at pyyaml 5.4 for aiida-core support
] + mongo_deps
# Client minded
aiida_deps = [
"aiida-core~=2.0",
]
http_client_deps = [
"httpx~=0.23",
"rich~=12.5",
"click~=8.1",
]
ase_deps = ["ase~=3.22"]
cif_deps = ["numpy~=1.21"]
pdb_deps = cif_deps
pymatgen_deps = ["pymatgen==2022.0.16"]
jarvis_deps = ["jarvis-tools==2022.5.20"]
client_deps = cif_deps
# General
docs_deps = [
"markupsafe==2.0.1", # Can be removed once aiida supports Jinja2>=3, see pallets/markupsafe#284
"mike~=1.1",
"mkdocs~=1.3",
"mkdocs-awesome-pages-plugin~=2.7",
"mkdocs-material~=8.3",
"mkdocstrings[python]~=0.19.0",
]
testing_deps = [
"build~=0.8.0",
"codecov~=2.1",
"jsondiff~=2.0",
"pytest~=7.1",
"pytest-cov~=3.0",
"pytest-httpx~=0.21",
] + server_deps
dev_deps = (
["pylint~=2.14", "pre-commit~=2.20", "invoke~=1.7"]
+ docs_deps
+ testing_deps
+ client_deps
+ http_client_deps
)
all_deps = (
dev_deps
+ elastic_deps
+ aiida_deps
+ ase_deps
+ pymatgen_deps
+ jarvis_deps
+ http_client_deps
)
setup(
name="optimade",
version=VERSION,
url="https://github.com/Materials-Consortia/optimade-python-tools",
license="MIT",
author="OPTIMADE Development Team",
author_email="dev@optimade.org",
description="Tools for implementing and consuming OPTIMADE APIs.",
long_description=open(module_dir.joinpath("README.md")).read(),
long_description_content_type="text/markdown",
keywords="optimade jsonapi materials",
include_package_data=True,
packages=find_packages(),
classifiers=[
"Development Status :: 4 - Beta",
"Programming Language :: Python :: 3 :: Only",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Intended Audience :: Developers",
"Topic :: Database",
"Topic :: Database :: Database Engines/Servers",
"Topic :: Database :: Front-Ends",
],
python_requires=">=3.8,<3.11",
install_requires=[
"lark~=1.1",
"fastapi~=0.79",
"pydantic~=1.9",
"email_validator~=1.2",
"requests~=2.28",
],
extras_require={
"all": all_deps,
"dev": dev_deps,
"http_client": http_client_deps,
"docs": docs_deps,
"testing": testing_deps,
"server": server_deps,
"client": client_deps,
"elastic": elastic_deps,
"mongo": mongo_deps,
"aiida": aiida_deps,
"ase": ase_deps,
"cif": cif_deps,
"pdb": pdb_deps,
"pymatgen": pymatgen_deps,
"jarvis": jarvis_deps,
},
entry_points={
"console_scripts": [
"optimade-validator=optimade.validator:validate",
"optimade-get=optimade.client.cli:get",
]
},
)