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[biobb_morph] update 5.0.0 (#53307)
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* [biobb_morph] update 5.0.0

* Fix matplotlib

* Fix matplotlib
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PauAndrio authored Jan 18, 2025
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70 changes: 70 additions & 0 deletions recipes/biobb_morph/meta.yaml
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{% set name = "biobb_morph" %}
{% set version = "5.0.0" %}

package:
name: "{{ name|lower }}"
version: "{{ version }}"

source:
url: "https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz"
sha256: 0d9a97586a986890a667b3d2aa6ea25da74062036c2ea2017bf6a590072c90e8

build:
number: 0
noarch: python
script: "{{ PYTHON }} -m pip install . --no-deps --ignore-installed --no-cache-dir -vvv"
run_exports:
- {{ pin_subpackage(name, max_pin='x') }}

requirements:
host:
- python >=3.9
- setuptools
- biobb_common ==5.0.0
- numpy
- numpy-stl
- trimesh
- matplotlib-base
- scikit-learn
- scipy
- meshio
- rtree
- pytorch
run:
- python >=3.9
- biobb_common ==5.0.0
- numpy
- numpy-stl
- trimesh
- matplotlib-base
- scikit-learn
- scipy
- meshio
- rtree
- pytorch

test:
imports:
- biobb_morph
- biobb_morph.morph
- biobb_morph.morph.morph

about:
home: /~https://github.com/bioexcel/biobb_morph
license: Apache Software License
license_family: APACHE
license_file: ''
summary: biobb_morph is the Biobb module collection to perform molecular dynamics simulations using the morph MD suite.
description: "# biobb_morph\n\n### Introduction\nBiobb_morph is the Biobb module collection. \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-morph.readthedocs.io/en/latest/).\n\
\n\n### Copyright & Licensing\nThis software has been developed in the [MMB group](http://mmb.irbbarcelona.org) at the [BSC](http://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) 2015-2024 [Barcelona Supercomputing Center](https://www.bsc.es/)\n* (c) 2015-2024 [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"
doc_url: http://biobb_morph.readthedocs.io/en/latest/
dev_url: /~https://github.com/bioexcel/biobb_morph

extra:
recipe-maintainers: PauAndrio

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