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aiida-champ

AiiDA plugin that wraps the vmc executable of CHAMP code for computing the total energy and much more stuff.

status beta

General information

Install pip install aiida-champ
Source code https://github.com/TREX-CoE/aiida-champ
Documentation http://aiida-champ.readthedocs.io/
Author(s) Ravindra Shinde
Contact r.l.shinde@utwente.nl
Python import import aiida_champ
Latest version 1.2.6
Released 2021-12-27

Registry checks

W019: No <code>bdist_wheel</code> available for PyPI release.
W002: AiiDA version not found
W006: 'development_status' key is deprecated. Use PyPI Trove classifiers in the plugin repository instead.
W008: Unable to reach documentation URL: http://aiida-champ.readthedocs.io/
W010: Entry point 'CHAMP' does not start with prefix 'champ.'
W010: Entry point 'CHAMP' does not start with prefix 'champ.'
W010: Entry point 'CHAMP' does not start with prefix 'champ.'
W010: Entry point 'CHAMP' does not start with prefix 'champ.'
E001: Failed to install plugin aiida-champ<pre>Collecting aiida-champ Downloading aiida-champ-1.2.6.tar.gz (10 kB) 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-champ to determine which version is compatible with other requirements. This could take a while. ERROR: Cannot install aiida-champ==1.2.6 because these package versions have conflicting dependencies. The conflict is caused by: aiida-champ 1.2.6 depends on aiida-core<2.0.0 and >=1.1.0 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 1 Parsers 1 Data 1 Other 1

Entry points

Data node types aiida.data

  • CHAMP

    aiida_champ.data:CHAMPParameters
CalcJobs and calculation functions aiida.calculations

  • CHAMP

    aiida_champ.calculations:CHAMPCalculation
CalcJob parsers aiida.parsers

  • CHAMP

    aiida_champ.parsers:CHAMPParser
verdi data commands aiida.cmdline.data

  • CHAMP

    aiida_champ.cli:data_cli