{% set name = "US-align" %}
{% set version = "2024.07.30" %}

package:
  name: {{ name|lower|replace("-", "") }}
  version: {{ version }}

source:
  url: https://github.com/eunos-1128/{{ name|lower|replace("-", "") }}/archive/refs/tags/v{{ version }}.tar.gz
  sha256: 21b510507e9258c1a2e03c6d32680282981a54e27778a3f3f739861ca7c7b38a

build:
  number: 1
  run_exports:
    - {{ pin_subpackage(name|lower|replace("-", ""), max_pin=None) }}

requirements:
  build:
    - {{ compiler("c") }}
    - {{ compiler("cxx") }}
    - make

test:
  commands:
    - USalign -h

about:
  home: https://zhanggroup.org/{{ name }}
  dev_url: https://github.com/pylelab/{{ name|replace("-", "") }}
  doc_url: https://zhanggroup.org/{{ name }}/help
  summary: "Universal structure alignment of monomeric, complex proteins and nucleic acids"
  description: |
    US-align (Universal Structural alignment) is a unified protocol
    to compare 3D structures of different macromolecules (proteins, RNAs and DNAs)
    in different forms (monomers, oligomers and heterocomplexes)
    for both pairwise and multiple structure alignments.
    The core alogrithm of US-align is extended from TM-align and generates optimal structural alignments
    by maximizing TM-score of compared strucures through heuristic dynamic programming iterations.
    Large-scale benchmark tests showed that US-align can generate more accurate structural alignments
    with significantly reduced CPU time, compared to the state-of-the-art methods developed
    for specific structural alignment tasks.
    TM-score has values in (0,1] with 1 indicating an identical structure match,
    where a TM-score ≥0.5 (or 0.45) means the structures share the same global topology for proteins (or RNAs).
  license: UNKNOWN
  license_family: OTHER
  license_file: LICENSE

extra:
  additional-platforms:
    - linux-aarch64
    - osx-arm64
  recipe-maintainers:
    - eunos-1128
