{% set name = "dftbplus" %}
{% set version = "20.1" %}

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

source:
  url: https://github.com/{{ name }}/{{ name }}/archive/4f5907c38860683723b2c2cc16860e832b359f71.tar.gz
  sha256: f7c294bc18098a8a5229196b4e783d800f870a16e3f217cdda736d99a9097e57

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

requirements:
  host:
    - python
    - pip
  run:
    - python
    - {{ pin_compatible('numpy') }}

test:
  imports:
    - dptools
  commands:
    - which dp_bands
    - which dp_dos
    - which gen2cif
    - which gen2xyz
    - which xyz2gen
    - which straingen
    - which repeatgen
    - which makecube

about:
  home: https://{{ name }}.org
  license: LGPL-3.0-or-later
  license_family: LGPL
  license_file:
    - "LICENSE"
    - "COPYING"
    - "COPYING.LESSER"
  summary: "DPTOOLS: Processing and converting data related to the DFTB+ package"
  doc_url: https://{{ name }}-recipes.readthedocs.io
  dev_url: https://github.com/{{ name }}/{{ name }}

extra:
  recipe-maintainers:
    - awvwgk

Add recipe for DFTB+ tools (dptools)
Add recipe for DFTB+ tools (dptools)
