env-dev.yml

name: maize-dev
channels:
  - rdkit
  - https://conda.anaconda.org/conda-forge
  - defaults
dependencies:
  - python=3.10
  - toml>=0.10.2
  - yaml>=0.2.5
  - dill>=0.3.6
  - networkx>=3.1
  - numpy>=1.24.3, <2.0
  - scipy>=1.11.2
  - matplotlib>=3.7.1
  - pytest>=7.3.1
  - pytest-datadir>=1.4.1
  - pytest-mock>=3.10.0
  - mypy>=1.2.0, <1.7
  - pylint>=2.17.3
  - sphinx>=6.2.0
  - pandoc>=3.1.1
  - graphviz>=8.0.3
  - beartype>=0.13.1
  - rdkit>=2022.9.5
  - pandas>=2.0.0
  - openbabel>=3.1.1
  - requests>=2.32.0
  - pip>=20.0
  - prolif >=2.0,<3.0
  - pip:
    - meeko>=0.5.0
    - git+https://github.com/ExaWorks/psij-python.git@9e1a777
    - graphviz>=0.20.1
    - nbsphinx>=0.9.1
    - furo>=2023.3.27
    - pyyaml>=0.2.5
    - maize-0.9.1-py3-none-any.whl