pyproject.toml

[build-system]
requires = ["flit"]
build-backend = "flit.buildapi"

[project]
name = "ipyoptimade"
authors = [
  { name = "Casper Welzel Andersen", email = "casper+github@welzel.nu" },
  { name = "Kristjan Eimre", email = "kristan.eimre@epfl.ch" },
  { name = "Jusong Yu", email = "jusong.yu@psi.ch" },
]
description = "Jupyter client for searching structures through OPTIMADE API"
readme = "README.md"
classifiers = [
  "Development Status :: 5 - Production/Stable",
  "Framework :: AiiDA",
  "Framework :: Jupyter",
  "Intended Audience :: Science/Research",
  "License :: OSI Approved :: MIT License",
  "Operating System :: MacOS :: MacOS X",
  "Operating System :: POSIX :: Linux",
  "Operating System :: Microsoft :: Windows",
  "Programming Language :: Python :: 3 :: Only",
  "Programming Language :: Python :: 3.9",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
  "Topic :: Database :: Front-Ends",
  "Topic :: Scientific/Engineering",
  "Topic :: Scientific/Engineering :: Chemistry",
  "Topic :: Scientific/Engineering :: Physics",
  "Topic :: Software Development :: Widget Sets",
]
requires-python = ">=3.9"
dynamic = ["version"] # read version from src/ipyoptimade/__init__.py
dependencies = [
  "appdirs~=1.4.4",
  "cachecontrol[filecache]~=0.13.1",
  "ipywidgets~=8.1",
  "nglview~=3.0.8",
  "optimade~=1.0.0",
  "ase~=3.22",
  "pandas~=2.1",
  "requests~=2.31",
  "widget_periodictable~=4.1",
  "semver~=3.0",
  "widget-dropdown~=0.3.1",
  "jupyterlab~=4.0",
]

[project.optional-dependencies]
dev = [
  "pre-commit~=3.6",
  "pytest~=7.4",
  "pytest-cov~=4.1",
  "bumpver>=2023.1129",
  "pip-tools~=7.4",
]
voila = ["voila~=0.4.0"]

[project.urls]
Documentation = "https://github.com/aiidalab/ipyoptimade#readme"
Source = "https://github.com/aiidalab/ipyoptimade"
Tracker = "https://github.com/aiidalab/ipyoptimade/issues"

[tool.flit.module]
name = "ipyoptimade"

[tool.bumpver]
current_version = "v1.1.0"
version_pattern = "vMAJOR.MINOR.PATCH[PYTAGNUM]"
commit_message = "Bump version: {old_version} -> {new_version}"
commit = true
tag = true
push = true

[tool.bumpver.file_patterns]
"pyproject.toml" = ['current_version = "{version}"']
"src/ipyoptimade/version.py" = ['__version__ = "{pep440_version}"']