{% set name = "exmol" %}
{% set version = "0.3.2" %}


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

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/exmol-{{ version }}.tar.gz
  sha256: 6239a97c66ed67ac1500ed8e474ac018ad399f7766fd4207c91226145f99d9d8

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

requirements:
  host:
    - pip
    - python >=3.6
  run:
    - matplotlib-base
    - numpy
    - python >=3.6
    - ratelimit
    - rdkit
    - requests
    - scikit-learn
    - selfies
    - tqdm

test:
  imports:
    - exmol
    - exmol.stoned
  commands:
    - pip check
  requires:
    - pip

about:
  home: https://ur-whitelab.github.io/exmol/
  summary: Counterfactual generation with STONED SELFIES
  license: MIT
  license_file: LICENSE

extra:
  recipe-maintainers:
    - hadim

{% set name = "exmol" %}
{% set version = "0.3.2" %}


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

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/exmol-{{ version }}.tar.gz
  sha256: 6239a97c66ed67ac1500ed8e474ac018ad399f7766fd4207c91226145f99d9d8

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

requirements:
  host:
    - pip
    - python >=3.6
  run:
    - matplotlib-base
    - numpy
    - python >=3.6
    - ratelimit
    - rdkit
    - requests
    - scikit-learn
    - selfies
    - tqdm

test:
  imports:
    - exmol
    - exmol.stoned
  requires:
    - pip

about:
  home: https://ur-whitelab.github.io/exmol/
  summary: Counterfactual generation with STONED SELFIES
  license: MIT
  license_file: LICENSE

extra:
  recipe-maintainers:
    - hadim

Remove pip check since `rdkit` is called `rdkit-pypi` in the setup.py file.
Remove pip check since `rdkit` is called `rdkit-pypi` in the setup.py file.