diff --git a/recipes/biobb_godmd/build.sh b/recipes/biobb_godmd/build.sh new file mode 100644 index 0000000000000..859d839573279 --- /dev/null +++ b/recipes/biobb_godmd/build.sh @@ -0,0 +1,4 @@ +#!/usr/bin/env bash + +python3 setup.py install --single-version-externally-managed --record=record.txt + diff --git a/recipes/biobb_godmd/meta.yaml b/recipes/biobb_godmd/meta.yaml new file mode 100644 index 0000000000000..be62d64851258 --- /dev/null +++ b/recipes/biobb_godmd/meta.yaml @@ -0,0 +1,51 @@ +{% set name = "biobb_godmd" %} +{% set version = "3.8.0" %} + +package: + name: "{{ name|lower }}" + version: "{{ version }}" + +source: + url: "https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz" + sha256: edbae466eba20619e51def3c6f73c4505ce6579d475d0b98ae5054504155934e + +build: + number: 0 + noarch: python + +requirements: + host: + - python >=3.7 + - setuptools + - biobb_common ==3.8.1 + - godmd ==1.0.0 + + run: + - python >=3.7 + - biobb_common ==3.8.1 + - godmd ==1.0.0 + + +test: + imports: + - biobb_godmd + - biobb_godmd.godmd + + +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"