aiida-catmat

Collection of AiiDA WorkChains Developed in Morgan Group

status beta

General information

Install pip install --pre aiida-catmat

Source code https://github.com/pzarabadip/aiida-catmat

Documentation https://aiida-catmat.readthedocs.io/

Author(s) Pezhman Zarabadi-Poor

Contact [email protected]

Python import import aiida_catmat

Latest version 1.0.0b0

Released 2022-07-21

Registry checks

W019: No <code>bdist_wheel</code> available for PyPI release.

W002: AiiDA version not found

W003: Missing classifier 'Framework :: AiiDA'

W006: 'development_status' key is deprecated. Use PyPI Trove classifiers in the plugin repository instead.

W010: Entry point 'vasp_base_parser' does not start with prefix 'catmat.'

W010: Entry point 'vasp.base' does not start with prefix 'catmat.'

E001: Failed to install plugin aiida-catmat<pre>Collecting aiida-catmat Downloading aiida-catmat-1.0.0b0.tar.gz (27 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-catmat to determine which version is compatible with other requirements. This could take a while. ERROR: Cannot install aiida-catmat==1.0.0b0 because these package versions have conflicting dependencies. The conflict is caused by: aiida-catmat 1.0.0b0 depends on aiida-core==1.6.8 The user requested (constraint) aiida-core==2.9.2 Additionally, some packages in these conflicts have no matching distributions available for your environment: aiida-core To fix this you could try to: 1. loosen the range of package versions you've specified 2. remove package versions to allow pip to 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

Parsers 1 Workflows 5

Entry points

CalcJob parsers aiida.parsers

vasp_base_parser
aiida_catmat.parsers:VaspBaseParser

WorkChains and work functions aiida.workflows

vasp.base
aiida_catmat.workchains:VaspBaseWorkChain
catmat.vasp_multistage
aiida_catmat.workchains:VaspMultiStageWorkChain
catmat.vasp_converge
aiida_catmat.workchains:VaspConvergeWorkChain
catmat.vasp_catmat
aiida_catmat.workchains:VaspCatMatWorkChain
catmat.vasp_multistage_ddec
aiida_catmat.workchains:VaspMultiStageDdecWorkChain