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pyvotca

Generic tools to interact with Votca using Python

https://github.com/votca/pyvotca

Science Score: 44.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (7.9%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

Generic tools to interact with Votca using Python

Basic Info
  • Host: GitHub
  • Owner: votca
  • License: apache-2.0
  • Language: Python
  • Default Branch: master
  • Size: 1.21 MB
Statistics
  • Stars: 1
  • Watchers: 5
  • Forks: 1
  • Open Issues: 5
  • Releases: 0
Created about 5 years ago · Last pushed over 4 years ago
Metadata Files
Readme Changelog Contributing License Code of conduct Citation

README.rst 

############
votcapytools
############

Generic tools to interact with Votca using Python


Installation
------------

To install votcapytools, do:

.. code-block:: console

  git clone https://github.com/votca/PyVOTCA.git
  cd pyvotca
  pip install .


Run tests (including coverage) with:

.. code-block:: console

  python setup.py test


Contributing
************

If you want to contribute to the development of votcapytools,
have a look at the `contribution guidelines `_.

License
*******

Copyright (c) 2021, 

Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at

http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software
distributed under the License is distributed on an "AS IS" BASIS,
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
See the License for the specific language governing permissions and
limitations under the License.



Credits
*******

This package was created with `Cookiecutter `_ and the `NLeSC/python-template `_.

Owner

  • Name: votca
  • Login: votca
  • Kind: organization
  • Email: votca@votca.org

Citation (CITATION.cff) 

# YAML 1.2
---
cff-version: "1.1.0"
title: "votcapytools"
authors:
  -
    family-names: "Bjoern Baumeier"
    given-names:
    orcid: "https://orcid.org/0000-0000-0000-0000"
date-released: 20??-MM-DD
doi: <insert your DOI here>
version: "0.1.0"
repository-code: "https://github.com/https://github.com/votca/votcapytools/votcapytools"
identifiers:
keywords:
message: "If you use this software, please cite it using these metadata."
license: "Apache Software License 2.0"

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Dependencies

setup.py pypi
  • h5py *