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Co-authored-by: Adam Hospital Gasch <[email protected]>
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#!/usr/bin/env bash | ||
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python3 setup.py install --single-version-externally-managed --record=record.txt | ||
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{% set name = "biobb_godmd" %} | ||
{% set version = "3.8.0" %} | ||
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package: | ||
name: "{{ name|lower }}" | ||
version: "{{ version }}" | ||
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source: | ||
url: "https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz" | ||
sha256: edbae466eba20619e51def3c6f73c4505ce6579d475d0b98ae5054504155934e | ||
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build: | ||
number: 0 | ||
noarch: python | ||
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requirements: | ||
host: | ||
- python >=3.7 | ||
- setuptools | ||
- biobb_common ==3.8.1 | ||
- godmd ==1.0.0 | ||
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run: | ||
- python >=3.7 | ||
- biobb_common ==3.8.1 | ||
- godmd ==1.0.0 | ||
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test: | ||
imports: | ||
- biobb_godmd | ||
- biobb_godmd.godmd | ||
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about: | ||
home: https://github.com/bioexcel/biobb_godmd | ||
license: Apache Software License | ||
license_family: APACHE | ||
summary: Biobb_godmd is a BioBB category for GOdMD tool (protein conformational transitions). | ||
description: "[![](https://readthedocs.org/projects/biobb-godmd/badge/?version=latest)](https://biobb-godmd.readthedocs.io/en/latest/?badge=latest)\ | ||
\ [![](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat)](https://anaconda.org/bioconda/biobb_godmd)\ | ||
\ [![](https://img.shields.io/badge/docker-Quay.io-blue)](https://quay.io/repository/biocontainers/biobb_godmd?tab=tags)\ | ||
\ [![](https://img.shields.io/badge/License-Apache%202.0-blue.svg)](https://opensource.org/licenses/Apache-2.0)\n\ | ||
\n# biobb_godmd\n\n### Introduction\nBiobb_godmd allows the calculation of protein conformational transitions using the GOdMD package. \nBiobb (BioExcel building blocks) packages are Python building blocks that\ncreate\ | ||
\ new layer of compatibility and interoperability over popular\nbioinformatics tools.\nThe latest documentation of this package can be found in our readthedocs site:\n[latest API documentation](http://biobb_ml.readthedocs.io/en/latest/).\n\ | ||
\n\n### Copyright & Licensing\nThis software has been developed in the [MMB group](https://mmb.irbbarcelona.org) at the [BSC](https://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).\ | ||
\n\n* (c) 2015-2022 [Barcelona Supercomputing Center](https://www.bsc.es/)\n* (c) 2015-2022 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)\n\ | ||
Licensed under the\n\ | ||
[Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0), see the file LICENSE for details.\n\ | ||
\n\ | ||
![](https://bioexcel.eu/wp-content/uploads/2019/04/Bioexcell_logo_1080px_transp.png \"Bioexcel\")\n\n\n" |