ExampleNotebooks/environment.yaml at main · OpenFreeEnergy/ExampleNotebooks · GitHub

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name: openfe-notebooks
channels:
  - conda-forge
dependencies:
  - coverage
  - ipywidgets
  - lxml
  - nbval
  - nglview
  - notebook
  - numpy
  - pip
  - pytest
  - pytest-cov
  - pytest-xdist
  - python
  - openfe==1.11.0
  - openff-interchange-base != 0.5.1  # https://github.com/openforcefield/openff-interchange/issues/1450
  - pip:
    - git+https://github.com/OpenFreeEnergy/openfe_analysis@v0.5.0 # Use conda-forge v0.5 after new openfe release updates pins on openfe-analysis
    - git+https://github.com/OpenFreeEnergy/cinnabar@0.6.0 # Use conda-forge v0.6.0 after new openfe release updates pins on cinnabar
    - git+https://github.com/OpenFreeEnergy/kartograf@v2.0.0  # Use conda-forge v2.0 after new openfe release updates pins on kartogra
    - git+https://github.com/OpenFreeEnergy/konnektor@v0.4.0  # use conda-forge v0.4.0 after openfe conda-forge release
    - git+https://github.com/OpenFreeEnergy/Lomap@v3.3.0  # use conda-forge v3.3.0 after openfe conda-forge release