{% set name = "Nerpa" %}
{% set version = "1.0.0" %}
{% set sha256 = "cbd506fe82370938255223bfd3c5c2631f3390e428a3ae0297a4db1bfc62c985" %}

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

source:
    url: https://github.com/ablab/nerpa/releases/download/v{{ version }}/{{ name|lower }}-{{ version }}.tar.gz
    sha256: {{ sha256 }}
    

build:
    number: 0


requirements:
    build:
      - {{ compiler('cxx') }}
      - cmake
      - make
    host:
      - python >=3.6
    run:
      - python >=3.6
      - rdkit
      - networkx
      - openjdk


test:
    commands:
      - nerpa.py --help
      - nerpa.py -a $PREFIX/share/nerpa/test_data/MIBiG_subset/genome_predictions --smiles-tsv $PREFIX/share/nerpa/test_data/MIBiG_subset/structures_info.tsv -o nerpa_test_out && rm -rf nerpa_test_out

    
about:
    home: https://cab.spbu.ru/software/nerpa/
    dev_url: https://github.com/ablab/nerpa
    doc_url: https://github.com/ablab/nerpa
    license: Dual-licensed under GPLv3 or CC BY-NC-SA 4.0
    license_file: LICENSE.txt
    summary: A tool for discovering biosynthetic gene clusters of nonribosomal peptides
    description: Nerpa is a tool for linking biosynthetic gene clusters (BGCs) to known nonribosomal peptides (NRPs). BGCs are predicted in genome sequences (FASTA or GBK) with antiSMASH (Medema et al, 2011). Known NRPs are accepted in the SMILES format and processed with rBAN (Ricart et al, 2019).


extra:
  recipe-maintainers:
    - alexeigurevich
  identifiers:
    - biotools:nerpa
