CodeEntropy/conda-recipe/meta.yaml at 2cf79fca30dd4f0624a1f2730cdf5f8e92ed97bd · CCPBioSim/CodeEntropy · GitHub

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{% set name = "CodeEntropy" %}
{% set version = "0.0.0" %}

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

source:
  path: ..

build:
  noarch: python
  script: python -m pip install . -vv --no-deps
  entry_points:
    - CodeEntropy=CodeEntropy.cli:main

requirements:
  host:
    - python >=3.12
    - pip
    - flit-core >=3.4,<4
  run:
    - python >=3.11
    - numpy >=2.3,<3.0
    - mdanalysis >=2.10,<3.0
    - pandas >=3.0,<3.1
    - psutil >=7.1,<8.0
    - pyyaml >=6.0,<7.0
    - python-json-logger >=4.0,<5.0
    - rich >=14.2,<15.0
    - art >=6.5,<7.0
    - networkx >=3.6,<3.7
    - matplotlib >=3.10,<3.11
    - waterentropy >=2,<2.1
    - requests >=2.32,<3.0

test:
  imports:
    - CodeEntropy
  commands:
    - CodeEntropy --help

about:
  home: https://ccpbiosim.github.io/CodeEntropy/
  license: MIT
  license_file: LICENSE
  summary: "Entropy analysis tools for macromolecular systems and MD simulation"