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aiida-qp2

AiiDA plugin for the Quantum Package 2.0

status beta

General information

Install pip install aiida-qp2
Source code https://github.com/TREX-CoE/aiida-qp2
Documentation https://trex-coe.github.io/aiida-qp2/index.html
Author(s) Evgeny Posenitskiy
Contact posenitskiy@irsamc.ups-tlse.fr
Python import import aiida_qp2
Latest version 0.2.0
Released 2022-02-26

Registry checks

W019: No <code>bdist_wheel</code> available for PyPI release.
W002: AiiDA version not found
E001: Failed to install plugin aiida-qp2<pre>Collecting aiida-qp2 Downloading aiida-qp2-0.2.0.tar.gz (9.8 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-qp2 to determine which version is compatible with other requirements. This could take a while. ERROR: Cannot install aiida-qp2==0.2.0 because these package versions have conflicting dependencies. The conflict is caused by: aiida-qp2 0.2.0 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 4 Parsers 4 Console scripts 1 Other 1

Entry points

Console scripts console_scripts

  • aqp

    aiida_qp2.cli:cli_root
verdi data commands aiida.cmdline.data

  • qp2.cli

    aiida_qp2.cli:cli_root
CalcJobs and calculation functions aiida.calculations

  • qp2

    aiida_qp2.calculations:QP2Calculation

  • qp2.create

    aiida_qp2.create.calculation:QP2CreateCalculation

  • qp2.run

    aiida_qp2.run.calculation:QP2RunCalculation

  • qp2.qmcchemrun

    aiida_qp2.run.qmcchem_calculation:QP2QmcchemRunCalculation
CalcJob parsers aiida.parsers

  • qp2

    aiida_qp2.parsers:QP2Parser

  • qp2.create

    aiida_qp2.create.parser:QP2CreateParser

  • qp2.run

    aiida_qp2.run.parser:QP2RunParser

  • qp2.qmcchemrun

    aiida_qp2.run.qmcchem_parser:QP2QmcchemRunParser