aiida-crystal17

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0.4.0 aiida_crystal17-0.4.0-py2-none-any.whl

Wheel Details

Project: aiida-crystal17
Version: 0.4.0
Filename: aiida_crystal17-0.4.0-py2-none-any.whl
Download: [link]
Size: 147167
MD5: af7878e569b092c04d1b466d96a5c021
SHA256: a5eefbd0c9af0c1e31f3bd639d67f91b13a8ff874166328a7b1c3fca197795be
Uploaded: 2019-03-02T08:49:10

dist-info

METADATA

Metadata-Version: 2.1
Name: aiida-crystal17
Version: 0.4.0
Summary: AiiDA plugin for running the CRYSTAL17 code
Author: Chris Sewell
Author-Email: chrisj_sewell[at]hotmail.com
Home-Page: https://github.com/chrisjsewell/aiida-crystal17
License: MIT
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 2.7
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Dist: aiida-core (==0.12.2)
Requires-Dist: ejplugins (>=0.9.7)
Requires-Dist: packaging (==19.0)
Requires-Dist: spglib (==1.10.3.65)
Requires-Dist: ase (==3.12.0)
Requires-Dist: sphinx (>=1.6); extra == "docs"
Requires-Dist: pre-commit (==1.10.5); extra == "pre-commit"
Requires-Dist: yapf (==0.22.0); extra == "pre-commit"
Requires-Dist: prospector (==1.1.2); extra == "pre-commit"
Requires-Dist: pylint (==1.8.4); extra == "pre-commit"
Requires-Dist: mock (==2.0.0); extra == "testing"
Requires-Dist: pgtest (==1.1.0); extra == "testing"
Requires-Dist: sqlalchemy-diff (==0.1.3); extra == "testing"
Requires-Dist: pytest (==3.6.3); extra == "testing"
Requires-Dist: wheel (>=0.31); extra == "testing"
Requires-Dist: coverage; extra == "testing"
Requires-Dist: pytest-cov; extra == "testing"
Requires-Dist: pytest-timeout; extra == "testing"
Requires-Dist: jsonextended; extra == "testing"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: testing
Description-Content-Type: text/markdown
[Description omitted; length: 10716 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.33.1)
Root-Is-Purelib: true
Tag: py2-none-any

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top_level.txt

aiida_crystal17

entry_points.txt

crystal17.basic = aiida_crystal17.calculations.cry_basic:CryBasicCalculation
crystal17.immigrant = aiida_crystal17.calculations.cry_main_immigrant:CryMainImmigrantCalculation
crystal17.main = aiida_crystal17.calculations.cry_main:CryMainCalculation
cry17-basis = aiida_crystal17.cmndline.basis_set:basisset
cry17-settings = aiida_crystal17.cmndline.structsettings:structsettings
crystal17.basisset = aiida_crystal17.data.basis_set:BasisSetData
crystal17.structsettings = aiida_crystal17.data.struct_settings:StructSettingsData
crystal17.basic = aiida_crystal17.parsers.cry_basic:CryBasicParser
crystal17.sym3d = aiida_crystal17.workflows.symmetrise_3d_struct:Symmetrise3DStructure
mock_runcry17 = aiida_crystal17.tests.mock_runcry17:main