# This file created by conda-build 3.21.4
# meta.yaml template originally from:
# /opt/recipe, last modified Sat Oct  2 15:17:13 2021
# ------------------------------------------------

package:
  name: nerpa
  version: 1.0.0
source:
  sha256: cbd506fe82370938255223bfd3c5c2631f3390e428a3ae0297a4db1bfc62c985
  url: https://github.com/ablab/nerpa/releases/download/v1.0.0/nerpa-1.0.0.tar.gz
build:
  number: '0'
  string: py39h7d875b9_0
requirements:
  build:
    - _libgcc_mutex 0.1 conda_forge
    - _openmp_mutex 4.5 1_gnu
    - binutils_impl_linux-64 2.36.1 h193b22a_2
    - binutils_linux-64 2.36 hf3e587d_1
    - bzip2 1.0.8 h7f98852_4
    - c-ares 1.17.2 h7f98852_0
    - ca-certificates 2021.5.30 ha878542_0
    - cmake 3.21.3 h8897547_0
    - expat 2.4.1 h9c3ff4c_0
    - gcc_impl_linux-64 9.4.0 h03d3576_9
    - gcc_linux-64 9.4.0 h391b98a_1
    - gxx_impl_linux-64 9.4.0 h03d3576_9
    - gxx_linux-64 9.4.0 h0316aca_1
    - kernel-headers_linux-64 2.6.32 he073ed8_14
    - krb5 1.19.2 h48eae69_2
    - ld_impl_linux-64 2.36.1 hea4e1c9_2
    - libcurl 7.79.1 h494985f_1
    - libedit 3.1.20191231 he28a2e2_2
    - libev 4.33 h516909a_1
    - libgcc-devel_linux-64 9.4.0 hd854feb_9
    - libgcc-ng 11.2.0 h1d223b6_9
    - libgomp 11.2.0 h1d223b6_9
    - libnghttp2 1.43.0 ha19adfc_1
    - libsanitizer 9.4.0 h79bfe98_9
    - libssh2 1.10.0 ha35d2d1_2
    - libstdcxx-devel_linux-64 9.4.0 hd854feb_9
    - libstdcxx-ng 11.2.0 he4da1e4_9
    - libuv 1.42.0 h7f98852_0
    - libzlib 1.2.11 h36c2ea0_1012
    - lz4-c 1.9.3 h9c3ff4c_1
    - make 4.3 hd18ef5c_1
    - ncurses 6.2 h58526e2_4
    - openssl 3.0.0 h7f98852_1
    - rhash 1.4.1 h7f98852_0
    - sysroot_linux-64 2.12 he073ed8_14
    - tk 8.6.11 h27826a3_1
    - xz 5.2.5 h516909a_1
    - zlib 1.2.11 h36c2ea0_1012
    - zstd 1.5.0 ha95c52a_0
  host:
    - _libgcc_mutex 0.1 conda_forge
    - _openmp_mutex 4.5 1_gnu
    - ca-certificates 2021.5.30 ha878542_0
    - ld_impl_linux-64 2.36.1 hea4e1c9_2
    - libffi 3.4.2 h9c3ff4c_4
    - libgcc-ng 11.2.0 h1d223b6_9
    - libgomp 11.2.0 h1d223b6_9
    - libstdcxx-ng 11.2.0 he4da1e4_9
    - libzlib 1.2.11 h36c2ea0_1012
    - ncurses 6.2 h58526e2_4
    - openssl 3.0.0 h7f98852_1
    - pip 21.2.4 pyhd8ed1ab_0
    - python 3.9.7 hf930737_3_cpython
    - python_abi 3.9 2_cp39
    - readline 8.1 h46c0cb4_0
    - setuptools 58.0.4 py39hf3d152e_2
    - sqlite 3.36.0 h9cd32fc_2
    - tk 8.6.11 h27826a3_1
    - tzdata 2021b he74cb21_0
    - wheel 0.37.0 pyhd8ed1ab_1
    - xz 5.2.5 h516909a_1
    - zlib 1.2.11 h36c2ea0_1012
  run:
    - libgcc-ng >=9.4.0
    - libstdcxx-ng >=9.4.0
    - networkx
    - openjdk
    - python >=3.9,<3.10.0a0
    - python_abi 3.9.* *_cp39
    - rdkit
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:
  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).
  dev_url: https://github.com/ablab/nerpa
  doc_url: https://github.com/ablab/nerpa
  home: https://cab.spbu.ru/software/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
extra:
  copy_test_source_files: true
  final: true
  identifiers:
    - biotools:nerpa
  recipe-maintainers:
    - alexeigurevich
