All plugins

aiida-yambo-wannier90

Plugin to combine Wannier90 interpolations with GW corrections computed by Yambo

status beta AiiDA >=1.6.4,<3

General information

Install pip install --pre aiida-yambo-wannier90
Source code https://github.com/aiidaplugins/aiida-yambo-wannier90
Documentation https://aiida-yambo-wannier90.readthedocs.io/en/latest/
Author(s) The AiiDA Team
Python import import aiida_yambo_wannier90
Latest version 0.1.0b0
Released 2022-07-06

Registry checks

W008: Unable to reach documentation URL: https://aiida-yambo-wannier90.readthedocs.io/en/latest/
E001: Failed to install plugin aiida-yambo-wannier90<pre>Collecting aiida-yambo-wannier90 Downloading aiida_yambo_wannier90-0.1.0b0-py3-none-any.whl.metadata (3.4 kB) Requirement already satisfied: aiida-core<3,>=1.6.4 in /opt/conda/lib/python3.10/site-packages (from aiida-yambo-wannier90) (2.5.2) Collecting voluptuous (from aiida-yambo-wannier90) Downloading voluptuous-0.16.0-py3-none-any.whl.metadata (20 kB) Collecting aiida-yambo>=1.3.0 (from aiida-yambo-wannier90) Downloading aiida_yambo-1.3.0-py3-none-any.whl.metadata (1.1 kB) Collecting aiida-wannier90-workflows>=1.0.1 (from aiida-yambo-wannier90) Downloading aiida_wannier90_workflows-2.7.1-py3-none-any.whl.metadata (5.6 kB) Requirement already satisfied: alembic~=1.2 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (1.13.1) Requirement already satisfied: archive-path~=0.4.2 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.4.2) Requirement already satisfied: aio-pika~=6.6 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (6.8.1) Requirement already satisfied: circus~=0.18.0 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.18.0) Requirement already satisfied: click-spinner~=0.1.8 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.1.10) Requirement already satisfied: click~=8.1 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (8.1.7) Requirement already satisfied: disk-objectstore~=1.0 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (1.1.0) Requirement already satisfied: docstring-parser in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.16) Requirement already satisfied: graphviz~=0.19 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.20.3) Requirement already satisfied: ipython>=7 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (8.25.0) Requirement already satisfied: jedi<0.19 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.18.2) Requirement already satisfied: jinja2~=3.0 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (3.1.4) Requirement already satisfied: kiwipy~=0.7.7 in /opt/conda/lib/python3.10/site-packages (from kiwipy[rmq]~=0.7.7->aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.7.8) Requirement already satisfied: importlib-metadata~=6.0 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (6.11.0) Requirement already satisfied: numpy~=1.21 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (1.26.4) Requirement already satisfied: paramiko>=2.7.2,~=2.7 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (2.12.0) Requirement already satisfied: plumpy~=0.21.6 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.21.10) Requirement already satisfied: pgsu~=0.2.1 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.2.4) Requirement already satisfied: psutil~=5.6 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (5.9.8) Requirement already satisfied: psycopg2-binary~=2.8 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (2.9.9) Requirement already satisfied: pydantic~=2.4 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (2.7.3) Requirement already satisfied: pytz~=2021.1 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (2021.3) Requirement already satisfied: pyyaml~=6.0 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (6.0.1) Requirement already satisfied: requests~=2.0 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (2.32.3) Requirement already satisfied: sqlalchemy~=2.0 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (2.0.30) Requirement already satisfied: tabulate~=0.8.5 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.8.10) Requirement already satisfied: tqdm~=4.45 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (4.66.4) Requirement already satisfied: upf_to_json~=0.9.2 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (0.9.5) Requirement already satisfied: wrapt~=1.11 in /opt/conda/lib/python3.10/site-packages (from aiida-core<3,>=1.6.4->aiida-yambo-wannier90) (1.16.0) Collecting aiida-pseudo>=0.6 (from aiida-wannier90-workflows>=1.0.1->aiida-yambo-wannier90) Downloading aiida_pseudo-1.8.0-py3-none-any.whl.metadata (10 kB) Collecting aiida-quantumespresso>=4.4 (from aiida-wannier90-workflows>=1.0.1->aiida-yambo-wannier90) Downloading aiida_quantumespresso-4.17.0-py3-none-any.whl.metadata (47 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 47.1/47.1 kB 4.8 MB/s eta 0:00:00 Collecting aiida-wannier90>=2.2 (from aiida-wannier90-workflows>=1.0.1->aiida-yambo-wannier90) Downloading aiida_wannier90-2.2.0-py3-none-any.whl.metadata (4.0 kB) Requirement already satisfied: colorama in /opt/conda/lib/python3.10/site-packages (from aiida-wannier90-workflows>=1.0.1->aiida-yambo-wannier90) (0.4.6) INFO: pip is looking at multiple versions of aiida-yambo to determine which version is compatible with other requirements. This could take a while. Collecting aiida-wannier90-workflows>=1.0.1 (from aiida-yambo-wannier90) Downloading aiida_wannier90_workflows-2.7.0-py3-none-any.whl.metadata (5.6 kB) Downloading aiida_wannier90_workflows-2.6.0-py3-none-any.whl.metadata (5.6 kB) Downloading aiida_wannier90_workflows-2.5.0-py3-none-any.whl.metadata (5.6 kB) Downloading aiida_wannier90_workflows-2.4.0-py3-none-any.whl.metadata (5.6 kB) Downloading aiida_wannier90_workflows-2.3.0-py3-none-any.whl.metadata (5.6 kB) Downloading aiida_wannier90_workflows-2.2.0-py3-none-any.whl.metadata (5.4 kB) Downloading aiida_wannier90_workflows-2.1.0-py3-none-any.whl.metadata (4.7 kB) INFO: pip is still looking at multiple versions of aiida-yambo to determine which version is compatible with other requirements. This could take a while. Downloading aiida_wannier90_workflows-1.0.2-py3-none-any.whl.metadata (969 bytes) INFO: pip is looking at multiple versions of aiida-wannier90-workflows to determine which version is compatible with other requirements. This could take a while. Downloading aiida_wannier90_workflows-1.0.1-py2.py3-none-any.whl.metadata (925 bytes) ERROR: Cannot install aiida-yambo-wannier90 and aiida-yambo-wannier90==0.1.0b0 because these package versions have conflicting dependencies. The conflict is caused by: aiida-yambo-wannier90 0.1.0b0 depends on aiida-core<3 and >=1.6.4 aiida-wannier90-workflows 1.0.2 depends on aiida-core<2 and >=1.1.1 aiida-yambo-wannier90 0.1.0b0 depends on aiida-core<3 and >=1.6.4 aiida-wannier90-workflows 1.0.1 depends on aiida-core<2 and >=1.1.1 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 Workflows 1 Console scripts 1

Entry points

CalcJobs and calculation functions aiida.calculations

  • yambo_wannier90.gw2wannier90

    aiida_yambo_wannier90.calculations.gw2wannier90:Gw2wannier90Calculation
CalcJob parsers aiida.parsers

  • yambo_wannier90.gw2wannier90

    aiida_yambo_wannier90.parsers.gw2wannier90:Gw2wannier90Parser
WorkChains and work functions aiida.workflows

  • yambo_wannier90

    aiida_yambo_wannier90.workflows:YamboWannier90WorkChain
Console scripts console_scripts

  • aiida-yambo-wannier90

    aiida_yambo_wannier90.cli:cmd_root