<commit_before>{% set name = "soaplite" %}
{% set version = "1.0.3" %}

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

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
  sha256: 268fa1ab4036c94df8de1432929d3a40eb8c4db208e1c783374eece1b4ef350b

build:
  noarch: python
  number: 0
  script: "{{ PYTHON }} -m pip install . -vv"

requirements:
  host:
    - python
    - pip
  run:
    - python
    - numpy
    - scipy
    - future
    - ase

test:
  imports:
    - soaplite

about:
  home: https://github.com/SINGROUP/SOAPLite
  license: LGPL-3.0
  license_family: LGPL
  license_file: LICENSE
  summary: 'Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.'

  description: |
    Smooth Overlap of Atomic Positions (SOAP) is an algorithm used 
    for accurately classifying and machine learning chemical 
    environments. 
  doc_url: https://github.com/SINGROUP/SOAPLite
  dev_url: https://github.com/SINGROUP/SOAPLite

extra:
  recipe-maintainers:
    - jan-janssen
<commit_msg>Update meta.yaml<commit_after>{% set name = "soaplite" %}
{% set version = "1.0.3" %}

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

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
  sha256: 268fa1ab4036c94df8de1432929d3a40eb8c4db208e1c783374eece1b4ef350b

build:
  number: 0
  script: "{{ PYTHON }} -m pip install . -vv"

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

test:
  imports:
    - soaplite

about:
  home: https://github.com/SINGROUP/SOAPLite
  license: LGPL-3.0
  license_family: LGPL
  license_file: LICENSE
  summary: 'Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.'

  description: |
    Smooth Overlap of Atomic Positions (SOAP) is an algorithm used 
    for accurately classifying and machine learning chemical 
    environments. 
  doc_url: https://github.com/SINGROUP/SOAPLite
  dev_url: https://github.com/SINGROUP/SOAPLite

extra:
  recipe-maintainers:
    - jan-janssen

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