File tree Expand file tree Collapse file tree
Expand file tree Collapse file tree Original file line number Diff line number Diff line change 1+ {% set name = "ScaffoldGraph" %}
2+ {% set version = "1.0.3" %}
3+
14package :
2- name : scaffoldgraph
3- version : 1.0.2
5+ name : {{ name|lower }}
6+ version : {{ version }}
47
58source :
6- path : ../
9+ url : https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
10+ sha256 : bb8577f22f92cab13a760c1087a79c7eaf543b6ea2b1fe77c7c778976d0cc333
711
812build :
13+ noarch : python
914 number : 0
10- script : " $PYTHON setup.py install --single-version-externally-managed --record=/tmp/record.txt " [not-win ]
11- script : " % PYTHON% setup.py install" [win]
15+ skip : True # [py<35 ]
16+ script : " {{ PYTHON }} -m pip install . -vv "
1217
1318requirements :
1419 build :
1520 - python
16- - setuptools
17-
21+ - pip
22+ - pytest-runner
1823 run :
1924 - python
2025 - rdkit
2126 - networkx
22- - scipy
23- - pandas
24- - tqdm
2527 - loguru
26- - pytest
27-
28- test :
29- imports :
30- - scaffoldgraph
31-
32- requires :
33- - pytest
34- - coverage
35- - pytest-cov
28+ - tqdm
29+ - scipy >=1.3.1
30+
31+ test :
32+ imports :
33+ - scaffoldgraph
34+ - scaffoldgraph.network
35+ - scaffoldgraph.tree
36+ - scaffoldgraph.analysis
37+ - scaffoldgraph.core
38+ - scaffoldgraph.prioritization
39+ - scaffoldgraph.utils
40+ - scaffoldgraph.io
41+ commands :
42+ - scaffoldgraph --help
3643
3744about :
38- home : https://github.com/uclcheminformatics/scaffoldgraph
45+ home : https://github.com/UCLCheminformatics/ScaffoldGraph
3946 license : MIT
40- summary : ScaffoldGraph is an open-source library, for generating scaffold networks and scaffold trees.
41-
47+ license_family : MIT
48+ license_file : LICENSE
49+ summary : ' Cheminformatics package for building scaffold networks and trees.'
50+ description : |
51+ ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX,
52+ for the generation and analysis of scaffold networks and scaffold trees.
53+ doc_url : https://github.com/UCLCheminformatics/ScaffoldGraph
54+ dev_url : https://github.com/UCLCheminformatics/ScaffoldGraph
You can’t perform that action at this time.
0 commit comments