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[biobb_mem] update 5.0.0 #51940

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Nov 12, 2024
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60 changes: 60 additions & 0 deletions recipes/biobb_mem/meta.yaml
Original file line number Diff line number Diff line change
@@ -0,0 +1,60 @@
{% set name = "biobb_mem" %}
{% set version = "5.0.1" %}

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

source:
url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
sha256: bb82d828a3be20ca577162aca4ae9a7073598a08f181e079277c7f13f1e1950c

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
- lipyphilic ==0.10.0
- ambertools >=22.5
- gromacs
- hole2
Comment on lines +26 to +27
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💡 Codebase verification

Hole2 is not available in the bioconda channel

  • The hole2 package could not be found in the bioconda repository, which may cause dependency resolution issues.
🔗 Analysis chain

Verify the hole2 dependency integration

The addition of hole2 as a new dependency needs verification:

  1. Is it available in the bioconda channel?
  2. Are there any version constraints needed?

Also applies to: 33-34

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Check hole2 availability in bioconda
conda search -c bioconda hole2 --info

# Check if other biobb packages use hole2
rg "hole2" --type yaml

Length of output: 215


Script:

#!/bin/bash
# Check hole2 availability in bioconda using Bioconda GitHub repository
rg "hole2" bioconda/recipes/ --type yaml

# Alternatively, use curl to access Bioconda API (if available)
curl -s https://api.bioconda.github.com/recipes/hole2 | jq '.'

Length of output: 161

run:
- python >=3.9
- biobb_common ==5.0.0
- lipyphilic ==0.10.0
- ambertools >=22.5
- gromacs
- hole2
test:
imports:
- biobb_mem
- biobb_mem.mdanalysis_biobb
- biobb_mem.lipyphilic_biobb
- biobb_mem.ambertools

about:
home: https://github.com/bioexcel/biobb_mem
license: Apache Software License
license_family: APACHE
license_file: ''
summary: Biobb_mem is the Biobb module for membrane structure analysis.
description: "# biobb_mem\n\n### Introduction\nBiobb_mem is the Biobb module for membrane structure analysis.\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_analysis.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: ''
dev_url: ''
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🛠️ Refactor suggestion

Add documentation and development URLs.

The description mentions readthedocs documentation, but doc_url is empty. Similarly, dev_url should point to the GitHub repository.

-  doc_url: ''
-  dev_url: ''
+  doc_url: 'http://biobb_analysis.readthedocs.io/en/latest/'
+  dev_url: 'https://github.com/bioexcel/biobb_mem'

Committable suggestion skipped: line range outside the PR's diff.


extra:
recipe-maintainers: ''
Comment on lines +59 to +60
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⚠️ Potential issue

Add recipe maintainers.

The recipe-maintainers field is empty. This should list the GitHub usernames of people responsible for maintaining this recipe.

-  recipe-maintainers: ''
+  recipe-maintainers:
+    - RubenChM

Committable suggestion skipped: line range outside the PR's diff.

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