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aiida-ce

AiiDA plugin for running cluster expansion using icet.

status beta AiiDA >=1.0.0,<2.0.0

General information

Install pip install git+https://github.com/unkcpz/aiida-ce
Source code https://github.com/unkcpz/aiida-ce
Documentation No documentation provided by the package author.
Author(s) unkcpz
Contact morty.yu@yahoo.com
Python import import aiida_ce
Latest version 0.1.0a0

Registry checks

W006: 'development_status' key is deprecated. Use PyPI Trove classifiers in the plugin repository instead.
E001: Failed to install plugin aiida-ce<pre>Collecting git+https://github.com/unkcpz/aiida-ce Cloning https://github.com/unkcpz/aiida-ce to /tmp/pip-req-build-b4t04oog Running command git clone --filter=blob:none --quiet https://github.com/unkcpz/aiida-ce /tmp/pip-req-build-b4t04oog Resolved https://github.com/unkcpz/aiida-ce to commit 84cbc7c1e14af3cac5530e092e529bc84cfcfe6d Installing build dependencies: started Installing build dependencies: finished with status 'done' Getting requirements to build wheel: started Getting requirements to build wheel: finished with status 'done' Installing backend dependencies: started Installing backend dependencies: finished with status 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' INFO: pip is looking at multiple versions of aiida-ce to determine which version is compatible with other requirements. This could take a while. ERROR: Cannot install aiida-ce==0.1.0 because these package versions have conflicting dependencies. The conflict is caused by: aiida-ce 0.1.0 depends on aiida-core<2.0.0 and >=1.5.0 The user requested (constraint) aiida-core==2.5.2 To fix this you could try to: 1. loosen the range of package versions you've specified 2. remove package versions to allow pip attempt to solve the dependency conflict ERROR: ResolutionImpossible: for help visit https://pip.pypa.io/en/latest/topics/dependency-resolution/#dealing-with-dependency-conflicts </pre>
Click any code (W001, E001…) to jump to troubleshooting instructions .

Plugins provided

Calculations 3 Parsers 3 Data 3 Other 1

Entry points

Data node types aiida.data

  • ce

    aiida_ce.data:DiffParameters

  • ce.structures

    aiida_ce.data.structure_set:StructureSet

  • ce.cluster

    aiida_ce.data.cluster:ClusterSpaceData
CalcJobs and calculation functions aiida.calculations

  • ce.genenum

    aiida_ce.calculations.genenum:EnumCalculation

  • ce.gensqs

    aiida_ce.calculations.gensqs:SqsCalculation

  • ce.train

    aiida_ce.calculations.train:TrainCalculation
CalcJob parsers aiida.parsers

  • ce.genenum

    aiida_ce.parsers.genenum:EnumParser

  • ce.gensqs

    aiida_ce.parsers.gensqs:SqsParser

  • ce.train

    aiida_ce.parsers.train:TrainParser
verdi data commands aiida.cmdline.data

  • ce

    aiida_ce.cli:data_cli