# Note: there are many handy hints in comments in this example -- remove them when you've finalized your recipe

# Jinja variables help maintain the recipe as you'll update the version only here.
# Using the name variable with the URL in line 14 is convenient
# when copying and pasting from another recipe, but not really needed.
{% set name = "qikpropservice" %}
{% set version = "0.2.3" %}
{% set sha256 = "fb911ede6b8cdafb8350db841299aec24ea40947832bb54ca8665ae1ccd3c6d8" %}

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

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

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

requirements:
  host:
    - python
    - pip
  run:
    - python
    - requests
    - click
    - pydantic
    - tqdm

about:
  home: https://github.com/MolSSI/qikpropservice
  license: MIT
  license_family: MIT
  license_file: LICENSE
  summary: 'MolSSI QikProp As A Service API Wrapper Library'
  description: |
    The qikpropservice library wraps the API calls for the QikProp v3 As A Service
    providing both the CLI and the library capability to call the Service hosted
    by the Molecular Sciences Software Institute. The version of QikProp 
    provided as a service has been provided by 
    William L. Jorgensen <http://zarbi.chem.yale.edu/> in agreement with
    Schrödinger <https://www.schrodinger.com/>.
  doc_url: https://github.com/MolSSI/qikpropservice
  dev_url: https://github.com/MolSSI/qikpropservice

extra:
  recipe-maintainers:
    - lnaden

Create the entry for the QikProp v3 As a Service package
Create the entry for the QikProp v3 As a Service package

This package is the API request wrapper provided as a library and
as a CLI tool.

The webapp is handled entierly by a separate code dervied from the
same source repository, but not tied to the PyPI releases this
package will be coming from.
