setup.cfg

[metadata]
name = aiidalab_empa_molecules
version = attr: empa_molecules.version.__version__
description = App to compute molecular properties.
long_description = file: README.md
long_description_content_type = text/markdown
url = https://github.com/nanotech-empa/aiidalab-empa-molecules
author = nanotech-empa
license = MIT
license_files = LICENSE
classifiers =
    Development Status :: 2 - Pre-Alpha
    License :: OSI Approved :: MIT License
    Operating System :: OS Independent
    Programming Language :: Python :: 3
    Programming Language :: Python :: 3 :: Only
project_urls =
    Logo = https://raw.githubusercontent.com/nanotech-empa/aiidalab-empa-molecules/master/img/logo.png
    Documentation = https://github.com/nanotech-empa/aiidalab-empa-molecules/#readme
    Bug Tracker = https://github.com/nanotech-empa/aiidalab-empa-molecules/issues

[options]
packages = find:
install_requires =
    aiida-core~=2.2
    aiida-gaussian~=2.0
    aiida-nanotech-empa>=1.0.0b3
    aiidalab-widgets-base~=2.0
python_requires = >=3.9

[options.extras_require]
dev =
    bumpver==2021.1114
    pre-commit==2.11.1

[aiidalab]
title = Empa nanotech@surfaces Laboratory - Molecules

[flake8]
ignore =
    E501
    W503
    E203

[bumpver]
current_version = "v23.06.2b0"
version_pattern = "v0Y.0M.PATCH[PYTAGNUM]"
commit_message = "Bump version {old_version} -> {new_version}."
commit = True
tag = True
push = True

[bumpver:file_patterns]
empa_molecules/version.py =
    __version__ = "{version}"