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aiida-wien2k

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0.2.0 aiida_wien2k-0.2.0-py3-none-any.whl

Wheel Details

Project: aiida-wien2k
Version: 0.2.0
Filename: aiida_wien2k-0.2.0-py3-none-any.whl
Download: [link]
Size: 13548
MD5: cfc20f9e813344f96055ed832f1d6cde
SHA256: 52b6ea0907be832e8fa755c5ee3391684833de59be5582a23228be7c41caeb71
Uploaded: 2023-12-22 12:56:45 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-wien2k
Version: 0.2.0
Summary: The official AiiDA plugin for WIEN2k.
Author-Email: The AiiDA team <developers[at]aiida.net>
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
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.8
Requires-Dist: aiida_core[atomic_tools] (~=2.0)
Requires-Dist: fuzzywuzzy (~=0.18.0)
Requires-Dist: pgtest (~=1.3); extra == "dev"
Requires-Dist: pre-commit (~=2.2); extra == "dev"
Requires-Dist: pytest-regressions (~=2.0); extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/markdown
[Description omitted; length: 1391 characters]

WHEEL

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

RECORD

Path Digest Size
aiida_wien2k/__init__.py sha256=kik81ErpzsrcSO_UQEwsXnJl-EQeJBoe3V68rkUCBsU 66
aiida_wien2k/calculations/run123_lapw.py sha256=ayjEruelOqJLM049Om8f1MH8-2Psk_Z3LfnvGSpPrdU 9232
aiida_wien2k/configs/codes/run123_lapw.yml sha256=1jxLssR1qy1dXOS8dHgQMUZWcTwEcqNpKW8WUY8nJFI 611
aiida_wien2k/configs/computers/localhost.yml sha256=mKg1lwVOZ90tQrcOkXxqw6fVRYu3YDeiIKtUmVtHQw4 259
aiida_wien2k/parsers/scf123.py sha256=Gj7PveqAFX7R1NBaj9GfB4JLzafpr4PM98ZRLH1EH88 27431
aiida_wien2k/workflows/scf123_workchain.py sha256=LPbeD35MSu4VNBSbV-ezgHHxVOA5yhAGWwa3xoGsv0g 2723
aiida_wien2k-0.2.0.dist-info/entry_points.txt sha256=FsfsHet7EGt9eQGjVgYj0bn6BTIPE6d-fHr8rtIjAJo 279
aiida_wien2k-0.2.0.dist-info/LICENSE sha256=u_rVaeGA7g8Qnwn6kMjGX_QwahQGKycAXM30H6OeMwQ 1067
aiida_wien2k-0.2.0.dist-info/WHEEL sha256=EZbGkh7Ie4PoZfRQ8I0ZuP9VklN_TvcZ6DSE5Uar4z4 81
aiida_wien2k-0.2.0.dist-info/METADATA sha256=fnhBl2-z1ZIjkznmubR13ZZ3CZm8eY1hoErkRBQqF1E 2321
aiida_wien2k-0.2.0.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
wien2k-run123_lapw = aiida_wien2k.calculations.run123_lapw:Wien2kRun123Lapw
[aiida.parsers]
wien2k-scf123-parser = aiida_wien2k.parsers.scf123:Wien2kScf123Parser
[aiida.workflows]
wien2k.scf123_wf = aiida_wien2k.workflows.scf123_workchain:Wien2kScf123WorkChain