CANDO/meta.yaml at master · ram-compbio/CANDO · GitHub

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{% set version = "2.2.1" %}

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

source:
    git_url: "https://github.com/ram-compbio/CANDO.git"
    git_rev: v{{ version }}

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

requirements:
  build:
    - python
    - setuptools
    - numpy
  run:
    - python
    - rdkit
    - openbabel
    - numpy
    - pandas
    - scikit-learn
    - matplotlib
    - requests
    - progressbar2
    - coverage

  test:
      imports:
          - cando
      requires:
          - cando
about:
  home: http://compbio.org/protinfo/cando
  summary: "Computational Analysis of Novel Drug Opportunities"
  description: "A unique computational drug discovery, design, and repurposing platform."
  dev_url: https://github.com/ram-compbio/CANDO.git
  doc_url: http://compbio.org/protinfo/cando/docs/CANDO-v{{ version }}.pdf
  license: BSD-3-Clause
  license_file: LICENSE.md