# This file created by conda-build 24.7.1
# meta.yaml template originally from:
# /Users/distiller/project/recipes/privateer, last modified Tue Jul 29 15:19:44 2025
# ------------------------------------------------

package:
  name: privateer
  version: MKV
source:
  sha256: 3de6d4ef25f23fbeb167146db51b339edfac8014a482b2d2fd7213be98d6709d
  url: https://github.com/glycojones/privateer/archive/refs/tags/MKV.tar.gz
build:
  number: '2'
  run_exports:
    - privateer >=0mkv
  string: py313h261fa7f_2
requirements:
  build:
    - bzip2 1.0.8 h99b78c6_7
    - c-ares 1.34.5 h5505292_0
    - ca-certificates 2025.7.14 hbd8a1cb_0
    - cctools_osx-arm64 1021.4 h12580ec_0
    - clang 18.1.8 default_h1eedb11_12
    - clang-18 18.1.8 default_h649e436_12
    - clang_impl_osx-arm64 18.1.8 h2ae9ea5_25
    - clang_osx-arm64 18.1.8 h07b0088_25
    - clangxx 18.1.8 default_h0dcb199_12
    - clangxx_impl_osx-arm64 18.1.8 h555f467_25
    - clangxx_osx-arm64 18.1.8 h07b0088_25
    - cmake 4.0.3 ha25475f_0
    - compiler-rt 18.1.8 h856b3c1_1
    - compiler-rt_osx-arm64 18.1.8 h832e737_1
    - gfortran_impl_osx-arm64 13.4.0 h64b5c3f_0
    - gfortran_osx-arm64 13.4.0 h3c33bd0_0
    - gmp 6.3.0 h7bae524_2
    - isl 0.26 imath32_h347afa1_101
    - krb5 1.21.3 h237132a_0
    - ld64_osx-arm64 954.16 h9d5fcb0_0
    - libclang-cpp18.1 18.1.8 default_h649e436_12
    - libcurl 8.14.1 h73640d1_0
    - libcxx 20.1.8 hf598326_1
    - libcxx-devel 18.1.8 h6dc3340_8
    - libedit 3.1.20250104 pl5321hafb1f1b_0
    - libev 4.33 h93a5062_2
    - libexpat 2.7.1 hec049ff_0
    - libffi 3.4.6 h1da3d7d_1
    - libgfortran 15.1.0 hfdf1602_0
    - libgfortran-devel_osx-arm64 13.4.0 ha240a38_0
    - libgfortran5 15.1.0 hb74de2c_0
    - libglib 2.84.2 hbec27ea_0
    - libiconv 1.18 hfe07756_1
    - libintl 0.25.1 h493aca8_0
    - libllvm18 18.1.8 default_h3f49643_7
    - liblzma 5.8.1 h39f12f2_2
    - libnghttp2 1.64.0 h6d7220d_0
    - libssh2 1.11.1 h1590b86_0
    - libuv 1.51.0 h5505292_0
    - libxml2 2.13.8 hcc23dba_0
    - libzlib 1.3.1 h8359307_2
    - llvm-openmp 20.1.8 hbb9b287_0
    - llvm-tools 18.1.8 default_h3f49643_7
    - llvm-tools-18 18.1.8 default_h3f49643_7
    - m4 1.4.20 h5505292_0
    - mpc 1.3.1 h8f1351a_1
    - mpfr 4.2.1 hb693164_3
    - ncurses 6.5 h5e97a16_3
    - ninja 1.13.1 h4f10f1e_0
    - openssl 3.5.1 h81ee809_0
    - pcre2 10.45 ha881caa_0
    - pkg-config 0.29.2 hde07d2e_1009
    - rhash 1.4.6 h5505292_1
    - sed 4.9 h21ae2d7_0
    - sigtool 0.1.3 h44b9a77_0
    - tapi 1300.6.5 h03f4b80_0
    - zlib 1.3.1 h8359307_2
    - zstd 1.5.7 h6491c7d_2
  host:
    - bzip2 1.0.8 h99b78c6_7
    - ca-certificates 2025.7.14 hbd8a1cb_0
    - ccp4srs 2024.06.14 hda5e58c_0
    - clipper 2.1.20180802 h19345ea_1
    - gemmi 0.5.8 py313h9cecdfe_1
    - icu 75.1 hfee45f7_0
    - libccp4 8.0.0 h19345ea_1
    - libcxx 20.1.8 hf598326_1
    - libexpat 2.7.1 hec049ff_0
    - libffi 3.4.6 h1da3d7d_1
    - libgfortran 5.0.0 14_2_0_h6c33f7e_103
    - libgfortran5 14.2.0 h6c33f7e_103
    - libglib 2.84.2 hbec27ea_0
    - libiconv 1.18 hfe07756_1
    - libintl 0.25.1 h493aca8_0
    - liblzma 5.8.1 h39f12f2_2
    - libmpdec 4.0.0 h5505292_0
    - libsqlite 3.50.3 h4237e3c_1
    - libzlib 1.3.1 h8359307_2
    - llvm-openmp 20.1.8 hbb9b287_0
    - mmdb2 2.0.22 h697fd72_2
    - ncurses 6.5 h5e97a16_3
    - openssl 3.5.1 h81ee809_0
    - pcre2 10.45 ha881caa_0
    - pkg-config 0.29.2 hde07d2e_1009
    - pybind11 2.13.6 pyhc790b64_3
    - pybind11-global 2.13.6 pyh217bc35_3
    - python 3.13.5 hf3f3da0_102_cp313
    - python_abi 3.13 8_cp313
    - readline 8.2 h1d1bf99_2
    - setuptools 80.9.0 pyhff2d567_0
    - tk 8.6.13 h892fb3f_2
    - tzdata 2025b h78e105d_0
  run:
    - ccp4srs >=2024.6.14
    - clipper >=2.1.20180802,<3.0a0
    - gemmi <0.6.0
    - libccp4 >=8.0.0,<9.0a0
    - libcxx >=18
    - libgfortran
    - libgfortran5 >=13.4.0
    - libgfortran5 >=14.2.0
    - matplotlib-base
    - mmdb2 >=2.0.22,<3.0a0
    - numpy 2.1.*
    - prettytable
    - pytest
    - python >=3.13,<3.14.0a0
    - python_abi 3.13.* *_cp313
    - requests
    - seaborn
test:
  imports:
    - privateer.privateer_core
    - privateer.privateer_modelling
  requires:
    - pip
  source_files:
    - tests/test_data/2h6o_carbremediation.pdb
    - tests/test_data/5fjj.mtz
    - tests/test_data/5fjj.pdb
about:
  description: 'Privateer is a tool for carbohydrate structure validation, re-refinement
    and graphical analysis. It carries out automatic assignments of ring conformation
    (IUPAC nomenclature), anomeric form, absolute configuration and comparison to
    reference values for validation. It computes omit mFo-DFc maps and calculates
    a correlation coefficient between model and electron density. For structure refinement,
    it is able to generate chemical dictionaries with unimodal torsion restraints
    which will help keep the lowest energy conformation. In terms of graphical analysis,
    it will produce vector diagrams in SNFG nomenclature (SVG format), which are annotated
    using the validation information (ring conformation, anomeric form, etc).

    Privateer is implemented in C++11 and Python3 (via pybind11), and produces Scheme
    and Python scripts for use with Coot (https://github.com/pemsley/coot).

    '
  dev_url: https://github.com/glycojones/privateer
  doc_url: https://www.ccp4.ac.uk/html/privateer.html
  home: https://github.com/glycojones/privateer
  license: LGPL-3.0
  license_family: LGPL
  license_file: LICENSE
  summary: The Swiss Army knife for carbohydrate structure validation, refinement
    and analysis
extra:
  additional-platforms:
    - linux-aarch64
    - osx-arm64
  copy_test_source_files: true
  final: true
  identifiers:
    - doi:10.1038/nsmb.3115
    - doi:10.1107/S2053230X24000359
    - doi:10.1107/S2059798323003510
    - doi:10.3762/bjoc.16.204
  recipe-maintainers:
    - eunos-1128
