[metadata]
name = aiidalab_qe
version = 25.4.0a2
description = Package for the AiiDAlab QE app
long_description = file: README.md
long_description_content_type = text/markdown
url = https://github.com/aiidalab/aiidalab-qe
author = AiiDAlab team
author_email = aiidalab@materialscloud.org
license = MIT
license_file = LICENSE
classifiers = 
	License :: OSI Approved :: MIT License
	Operating System :: OS Independent
	Programming Language :: Python :: 3
	Programming Language :: Python :: 3 :: Only
project_urls = 
	Bug Tracker = https://github.com/aiidalab/aiidalab-qe/issues
	Documentation = https://aiidalab-qe.readthedocs.io/
	Logo = https://raw.githubusercontent.com/aiidalab/aiidalab-qe/master/miscellaneous/logos/QE.jpg

[options]
package_dir = 
	= src
packages = find:
install_requires = 
	aiida-core~=2.5,<3
	Jinja2~=3.0
	aiida-quantumespresso~=4.10.0
	aiidalab-widgets-base[optimade]~=2.4.0
	aiida-pseudo~=1.4
	filelock~=3.8
	importlib-resources~=5.2
	aiida-wannier90-workflows==2.3.0
	anywidget==0.9.13
	table_widget~=0.0.2
	shakenbreak~=3.3.1
	plotly~=5.24
	kaleido~=0.2.1
python_requires = >=3.9

[options.packages.find]
where = src

[options.extras_require]
dev = 
	bumpver~=2023.1124
	pre-commit~=3.2
	pytest~=7.4
	pytest-regressions~=2.2
	pgtest==1.3.1
	pytest-cov~=5.0

[options.package_data]
aiidalab_qe.app.parameters = qeapp.yaml
aiidalab_qe.app.static.images = *
aiidalab_qe.app.static.styles = *.css
aiidalab_qe.app.static.templates = *.jinja
aiidalab_qe.app.structure.examples = *
aiidalab_qe.app.result.components.summary = schema.json
aiidalab_qe.guides = *

[options.entry_points]
aiidalab_qe.properties = 
	bands = aiidalab_qe.plugins.bands:bands
	pdos = aiidalab_qe.plugins.pdos:pdos
	electronic_structure = aiidalab_qe.plugins.electronic_structure:electronic_structure
aiida.workflows = 
	aiidalab_qe.bands_workchain = aiidalab_qe.plugins.bands.bands_workchain:BandsWorkChain

[aiidalab]
title = Quantum ESPRESSO
description = The Quantum ESPRESSO (QE) app is a web-based interface within AiiDAlab that allows users to perform first-principles calculations and analyze material properties (e.g., band structures) directly from their browser.
categories = 
	quantum

[bumpver]
current_version = "v25.04.0a2"
version_pattern = "v0Y.0M.PATCH[PYTAGNUM]"
commit_message = "Bump version {old_version} -> {new_version}"
commit = True
tag = True
push = True
pre_commit_hook = ./bumpver_pre_commit.sh

[bumpver:file_patterns]
src/aiidalab_qe/version.py = 
	__version__ = "{version}"
setup.cfg = 
	current_version = "{version}"
	version = {pep440_version}
docs/source/conf.py = 
	version = "{version}"

[egg_info]
tag_build = 
tag_date = 0

