<commit_before>{% set name = "goodvibes" %}
{% set version = "3.1.0" %}

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

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
  sha256: ea2ab9cea80a1f57ead3fb6135450ecc6324923f987038210453458093078753

build:
  number: 0

requirements:
  build:
    - {{ compiler('c') }}
    - {{ compiler('cxx') }}  # not sure if you need this one
  host:
    - pip
    - python
  run:
    - cclib
    - numpy
    - python

test:
  imports:
    - goodvibes
  requires:
    - pip
  commands:
    - pip check

about:
  home: https://github.com/patonlab/goodvibes
  license: MIT
  license_file: 
    - LICENSE.txt # GoodVibes license
    - LICENSE.txt # Symmetry license
  summary: 'A python program to compute corrections to thermochemical data from frequency calculations'

extra:
  recipe-maintainers:
    - luchini18
<commit_msg>Update goodvibes version, remove c++ compiler<commit_after>{% set name = "goodvibes" %}
{% set version = "3.1.1" %}

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

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
  sha256: ea2ab9cea80a1f57ead3fb6135450ecc6324923f987038210453458093078753

build:
  number: 0

requirements:
  build:
    - {{ compiler('c') }}
  host:
    - pip
    - python
  run:
    - cclib
    - numpy
    - python

test:
  imports:
    - goodvibes
  requires:
    - pip
  commands:
    - pip check

about:
  home: https://github.com/patonlab/goodvibes
  license: MIT
  license_file: 
    - LICENSE.txt # GoodVibes license
    - goodvibes/share/LICENSE.txt # Symmetry license
  summary: 'A python program to compute corrections to thermochemical data from frequency calculations'

extra:
  recipe-maintainers:
    - luchini18

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{'dir': 'git-commits-cleaned', 'id': '1753166', 'n_tokens_mistral': 737, 'n_tokens_neox': 668, 'n_words': 155}