{% set name = "reduce" %}
{% set version = "4.15" %}

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

source:
  url: https://github.com/rlabduke/{{ name }}/archive/refs/tags/v{{ version }}.tar.gz
  sha256: f2f993e3f86ded38135d6433e0a7c2ed10fbe5da37f232c04d7316702582ed06

build:
  number: 2
  run_exports:
    - {{ pin_subpackage(name, max_pin="x") }}

requirements:
  build:
    - {{ compiler("cxx") }}
    - cmake
    - ninja
  host:
    - libboost-python-devel >=1.86.0,<1.87.0a0
    - python {{ python }}
  run:
    - python {{ python }}

test:
  commands:
    - pip check
    - reduce -version || if [ $? -eq 2 ]; then exit 0; else exit 1; fi
  imports:
    - reduce
  requires:
    - pip
  files:
    - 3QUG.pdb

about:
  home: https://github.com/rlabduke/reduce
  dev_url: https://github.com/rlabduke/reduce
  doc_url: "https://github.com/rlabduke/reduce/blob/v{{ version }}/README.md"
  license: "BSD-4-Clause-UC"
  license_family: BSD
  license_file: "LICENSE.txt"
  summary: "Reduce - tool for adding and correcting hydrogens in PDB files."
  description: |
    Reduce is a tool for adding and correcting hydrogens in PDB files.
    It is often used in computational biology and molecular modeling to
    prepare protein structures for further analysis or simulations.

extra:
  additional-platforms:
    - linux-aarch64
    - osx-arm64
  identifiers:
    - doi:10.1006/jmbi.1998.2401
  recipe-maintainers:
    - eunos-1128
