# This file created by conda-build 24.7.1
# meta.yaml template originally from:
# /Users/runner/work/bioconda-recipes/bioconda-recipes/recipes/reduce, last modified Fri Jul 18 02:03:25 2025
# ------------------------------------------------

package:
  name: reduce
  version: '4.15'
source:
  sha256: f2f993e3f86ded38135d6433e0a7c2ed10fbe5da37f232c04d7316702582ed06
  url: https://github.com/rlabduke/reduce/archive/refs/tags/v4.15.tar.gz
build:
  number: '2'
  run_exports:
    - reduce >=4.15,<5.0a0
  string: py39hee063d5_2
requirements:
  build:
    - bzip2 1.0.8 hfdf4475_7
    - c-ares 1.34.5 hf13058a_0
    - ca-certificates 2025.7.14 hbd8a1cb_0
    - cctools_osx-64 1010.6 hd19c6af_6
    - clang 18.1.8 default_h576c50e_10
    - clang-18 18.1.8 default_h3571c67_10
    - clang_impl_osx-64 18.1.8 h6a44ed1_25
    - clang_osx-64 18.1.8 h7e5c614_25
    - clangxx 18.1.8 default_heb2e8d1_10
    - clangxx_impl_osx-64 18.1.8 h4b7810f_25
    - clangxx_osx-64 18.1.8 h7e5c614_25
    - cmake 4.0.3 h477996e_0
    - compiler-rt 18.1.8 h1020d70_1
    - compiler-rt_osx-64 18.1.8 hf2b8a54_1
    - icu 75.1 h120a0e1_0
    - krb5 1.21.3 h37d8d59_0
    - ld64_osx-64 951.9 h33512f0_6
    - libclang-cpp18.1 18.1.8 default_h3571c67_10
    - libcurl 8.14.1 h5dec5d8_0
    - libcxx 20.1.8 hf95d169_0
    - libcxx-devel 18.1.8 h7c275be_8
    - libedit 3.1.20250104 pl5321ha958ccf_0
    - libev 4.33 h10d778d_2
    - libexpat 2.7.1 h21dd04a_0
    - libiconv 1.18 h4b5e92a_1
    - libllvm18 18.1.8 default_h3571c67_5
    - liblzma 5.8.1 hd471939_2
    - libnghttp2 1.64.0 hc7306c3_0
    - libssh2 1.11.1 hed3591d_0
    - libuv 1.51.0 h4cb831e_0
    - libxml2 2.14.5 hf180ddd_0
    - libzlib 1.3.1 hd23fc13_2
    - llvm-tools 18.1.8 default_h3571c67_5
    - llvm-tools-18 18.1.8 default_h3571c67_5
    - ncurses 6.5 h0622a9a_3
    - ninja 1.13.1 h0ba0a54_0
    - openssl 3.5.1 hc426f3f_0
    - rhash 1.4.6 h6e16a3a_1
    - sigtool 0.1.3 h88f4db0_0
    - tapi 1300.6.5 h390ca13_0
    - zstd 1.5.7 h8210216_2
  host:
    - bzip2 1.0.8 hfdf4475_7
    - ca-certificates 2025.7.14 hbd8a1cb_0
    - icu 75.1 h120a0e1_0
    - libblas 3.9.0 32_h7f60823_openblas
    - libboost 1.86.0 hf0da243_3
    - libboost-devel 1.86.0 h20888b2_3
    - libboost-headers 1.86.0 h694c41f_3
    - libboost-python 1.86.0 py39h5c7665c_3
    - libboost-python-devel 1.86.0 py39h810aed5_3
    - libcblas 3.9.0 32_hff6cab4_openblas
    - libcxx 20.1.8 hf95d169_0
    - libexpat 2.7.1 h21dd04a_0
    - libffi 3.4.6 h281671d_1
    - libgfortran 5.0.0 14_2_0_h51e75f0_103
    - libgfortran5 14.2.0 h51e75f0_103
    - liblapack 3.9.0 32_h236ab99_openblas
    - liblzma 5.8.1 hd471939_2
    - libopenblas 0.3.30 openmp_hbf64a52_0
    - libsqlite 3.50.2 h39a8b3b_2
    - libzlib 1.3.1 hd23fc13_2
    - llvm-openmp 20.1.8 hf4e0ed4_0
    - ncurses 6.5 h0622a9a_3
    - numpy 2.0.2 py39h277832c_1
    - openssl 3.5.1 hc426f3f_0
    - python 3.9.23 h8a7f3fd_0_cpython
    - python_abi 3.9 7_cp39
    - readline 8.2 h7cca4af_2
    - tk 8.6.13 hf689a15_2
    - tzdata 2025b h78e105d_0
    - zstd 1.5.7 h8210216_2
  run:
    - libboost-python >=1.86.0,<1.87.0a0
    - libcxx >=18
    - python >=3.9,<3.10.0a0 *_cpython
    - python_abi 3.9.* *_cp39
test:
  commands:
    - pip check
    - reduce -version || if [ $? -eq 2 ]; then exit 0; else exit 1; fi
  files:
    - 3QUG.pdb
  imports:
    - reduce
  requires:
    - pip
about:
  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.

    '
  dev_url: https://github.com/rlabduke/reduce
  doc_url: https://github.com/rlabduke/reduce/blob/v4.15/README.md
  home: https://github.com/rlabduke/reduce
  license: BSD-4-Clause-UC
  license_family: BSD
  license_file: LICENSE.txt
  summary: Reduce - tool for adding and correcting hydrogens in PDB files.
extra:
  additional-platforms:
    - linux-aarch64
    - osx-arm64
  copy_test_source_files: true
  final: true
  identifiers:
    - doi:10.1006/jmbi.1998.2401
  recipe-maintainers:
    - eunos-1128
