DBSTEP/meta.yaml at master · patonlab/DBSTEP · GitHub

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{% set name = "dbstep" %}
{% set version = "1.1.0" %}
# NOTE: Update version above to match dbstep/__version__ on each release.
# The sha256 hash must also be updated from the PyPI sdist.

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

source:
  url: "https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz"
  sha256: b7e3278219f67c6def9ba1754c193ffff18348db14e3d328eacb6e081773b92a

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

requirements:
  host:
    - pip
    - python >=3.9
    - setuptools >=64
  run:
    - cclib
    - numpy
    - python >=3.9
    - scipy

test:
  imports:
    - dbstep

about:
  home: "https://github.com/patonlab/DBSTEP"
  license: MIT
  license_family: MIT
  license_file: LICENSE.txt
  summary: "DFT-Based Steric Parameters"

extra:
  recipe-maintainers:
    - luchini18