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OliverBScott
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Update version and recipe
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conda/meta.yaml

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{% set name = "ScaffoldGraph" %}
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{% set version = "1.0.3" %}
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package:
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name: scaffoldgraph
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version: 1.0.2
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name: {{ name|lower }}
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version: {{ version }}
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source:
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path: ../
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url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
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sha256: bb8577f22f92cab13a760c1087a79c7eaf543b6ea2b1fe77c7c778976d0cc333
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build:
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noarch: python
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number: 0
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script: "$PYTHON setup.py install --single-version-externally-managed --record=/tmp/record.txt" [not-win]
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script: "%PYTHON% setup.py install" [win]
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skip: True # [py<35]
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script: "{{ PYTHON }} -m pip install . -vv"
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requirements:
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build:
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- python
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- setuptools
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- pip
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- pytest-runner
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run:
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- python
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- rdkit
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- networkx
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- scipy
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- pandas
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- tqdm
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- loguru
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- pytest
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test:
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imports:
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- scaffoldgraph
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requires:
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- pytest
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- coverage
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- pytest-cov
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- tqdm
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- scipy >=1.3.1
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test:
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imports:
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- scaffoldgraph
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- scaffoldgraph.network
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- scaffoldgraph.tree
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- scaffoldgraph.analysis
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- scaffoldgraph.core
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- scaffoldgraph.prioritization
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- scaffoldgraph.utils
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- scaffoldgraph.io
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commands:
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- scaffoldgraph --help
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about:
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home: https://github.com/uclcheminformatics/scaffoldgraph
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home: https://github.com/UCLCheminformatics/ScaffoldGraph
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license: MIT
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summary: ScaffoldGraph is an open-source library, for generating scaffold networks and scaffold trees.
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license_family: MIT
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license_file: LICENSE
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summary: 'Cheminformatics package for building scaffold networks and trees.'
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description: |
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ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX,
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for the generation and analysis of scaffold networks and scaffold trees.
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doc_url: https://github.com/UCLCheminformatics/ScaffoldGraph
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dev_url: https://github.com/UCLCheminformatics/ScaffoldGraph

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