{% set name = "propka" %}
{% set version = "3.1" %}

package:
  name: {{ name }}
  version: {{ version }}

source:
  url: https://files.pythonhosted.org/packages/a3/7b/e935ce37cbf9ac8fe23ec05f8072fb3a63582b20fb01ef0c24502b5d10ba/PROPKA-3.1.0.tar.gz
  md5: e2c2397165c874cabd0196188319baac

build:
  number: 0
  noarch: python
  script: "{{ PYTHON }} -m pip install . --no-deps -vv"

requirements:
  host:
    - python
    - pip
  run:
    - python

test:
  commands:
    - propka31 -h

about:
    home: https://github.com/jensengroup/propka-3.1
    license_family: LGPL
    license_file: '{{ environ["RECIPE_DIR"] }}/LICENSE'
    summary: PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based on the 3D structure.

extra:
    recipe-maintainers:
        - tsenapathi

{% set name = "propka" %}
{% set version = "3.1" %}

package:
  name: {{ name }}
  version: {{ version }}

source:
  url: https://files.pythonhosted.org/packages/a3/7b/e935ce37cbf9ac8fe23ec05f8072fb3a63582b20fb01ef0c24502b5d10ba/PROPKA-3.1.0.tar.gz
  md5: e2c2397165c874cabd0196188319baac

build:
  number: 0
  noarch: python
  script: "{{ PYTHON }} -m pip install . --no-deps -vv"

requirements:
  host:
    - python
    - pip
  run:
    - python

test:
  commands:
    - propka31 -h

about:
    home: https://github.com/jensengroup/propka-3.1
    license: LGPL
    license_file: '{{ environ["RECIPE_DIR"] }}/LICENSE'
    summary: PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based on the 3D structure.

extra:
    recipe-maintainers:
        - tsenapathi

Use LGPL as the license
Use LGPL as the license
