diff --git a/.recipe/recipe.yaml b/.recipe/recipe.yaml deleted file mode 100644 index bc3422f9..00000000 --- a/.recipe/recipe.yaml +++ /dev/null @@ -1,41 +0,0 @@ -package: - name: autochem - version: "2024.6.5" - -about: - license: MIT - description: A library for manipulating molecular descriptors - repository: https://github.com/Auto-Mech/autochem - -source: - path: .. - -build: - noarch: python - script: pip install . -v --no-deps - -requirements: - host: - - pip - - python >=3.10 - - poetry - - wheel - run: - - python >=3.10 - - pip - - ipython - - ipywidgets - - jupyter - - more-itertools - - networkx - - numpy - - py3dmol - - pylint - - pyparsing - - pytest - - pyyaml - - qcelemental - - rdkit - - scipy - - xarray -