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aiida-ddec

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2.0.0 aiida_ddec-2.0.0-py3-none-any.whl

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Project: aiida-ddec
Version: 2.0.0
Filename: aiida_ddec-2.0.0-py3-none-any.whl
Download: [link]
Size: 13355
MD5: b23d419c355b085fda0cf794972f575a
SHA256: 4db68ed815f76499fac2f9d7068aab1e706573828ef7b6bf31288e26aa362505
Uploaded: 2023-08-26 22:06:37 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-ddec
Version: 2.0.0
Summary: AiiDA plugin for DDEC code
Author-Email: Aliaksandr Yakutovich <aliaksandr.yakutovich[at]epfl.ch>, Miriam Pougin <miriam.pougin[at]epfl.ch>
Project-Url: Homepage, https://github.com/lsmo-epfl/aiida-ddec
Keywords: aiida,workflows
Classifier: Development Status :: 5 - Production/Stable
Classifier: Framework :: AiiDA
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Requires-Python: >=3.8
Requires-Dist: aiida-core[atomic_tools] (~=2.3)
Requires-Dist: aiida-cp2k (~=2.0)
Requires-Dist: six
Requires-Dist: voluptuous
Requires-Dist: importlib_resources
Requires-Dist: pre-commit (~=3.3); extra == "pre-commit"
Requires-Dist: black (~=23.7); extra == "pre-commit"
Requires-Dist: isort (~=5.12); extra == "pre-commit"
Requires-Dist: pylint (~=2.17); extra == "pre-commit"
Requires-Dist: pgtest (~=1.3.1); extra == "tests"
Requires-Dist: aiida-testing-dev (==0.1.0.dev1); extra == "tests"
Requires-Dist: pytest-cov (~=2.7); extra == "tests"
Requires-Dist: pytest (~=6.0); extra == "tests"
Provides-Extra: pre-commit
Provides-Extra: tests
Description-Content-Type: text/markdown
[Description omitted; length: 5840 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
aiida_ddec/__init__.py sha256=4FV_tYE2pglwYGuftIMzFBF6xpakA6unc96rAlueWVY 73
aiida_ddec/calculations/__init__.py sha256=-SmQaHuzFm3Jx_RDgspQJEXAaydl3E24cuNUZZJ2-W4 7510
aiida_ddec/parsers/__init__.py sha256=KP4Y3V_K1t07kdeQVs3IRdNKV3FgmYdfKYQUj8NBcqg 1899
aiida_ddec/utils/__init__.py sha256=v9KNC--Nm1_DFTt3bB9avn_ztaDXx1xZTlQ1JYWRCqc 150
aiida_ddec/utils/workchains.py sha256=lUFzK34ZJIV5iET58GHZgn3IjUtoNwOyaPRR81v1bmg 2214
aiida_ddec/utils/xyzparser.py sha256=GyvdPnALqrQm2WCHNd1vl-PjGXAN_MyYI2qWah_x0FQ 3311
aiida_ddec/workchains/__init__.py sha256=TMyvyaRNT_BwbpPHVkdxR3XLVT5m8ZiyH5KP74GR-ag 94
aiida_ddec/workchains/cp2k_ddec.py sha256=XGz_3qKXpXSfEzS1VzeIPWf_v2G2F9mkUOadGJ18_tI 4128
aiida_ddec-2.0.0.dist-info/entry_points.txt sha256=urCiQ_n1NYXw1ah7ChVmGGP4YDdFNGG20mzu0QvnV4w 193
aiida_ddec-2.0.0.dist-info/LICENSE sha256=DfHp3JRuOA9iVn3dk8DoqZhooK8OK0xIbDjoymFX5FE 1080
aiida_ddec-2.0.0.dist-info/WHEEL sha256=EZbGkh7Ie4PoZfRQ8I0ZuP9VklN_TvcZ6DSE5Uar4z4 81
aiida_ddec-2.0.0.dist-info/METADATA sha256=tW-pQJ0ssIfD82smlk8RCkIf09a-_YHIQ9AK2bjs284 7195
aiida_ddec-2.0.0.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
ddec = aiida_ddec.calculations:DdecCalculation
[aiida.parsers]
ddec = aiida_ddec.parsers:DdecParser
[aiida.workflows]
ddec.cp2k_ddec = aiida_ddec.workchains:Cp2kDdecWorkChain