Files
2026-06-19 12:06:13 -04:00

35 lines
1.0 KiB
Tcl

# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4
PortSystem 1.0
PortGroup python 1.0
name py-xyzgraph
version 1.6.12
revision 0
categories-append science
platforms {darwin any}
supported_archs noarch
license MIT
maintainers {reneeotten @reneeotten} openmaintainer
description Molecular Graph Construction from Cartesian Coordinates.
long_description {*}${description}
homepage https://github.com/aligfellow/xyzgraph
checksums rmd160 7ab664796982d1c50293c722aa3524c95d9078c5 \
sha256 7f4dfe30538d18ccba38c23c3741e10fe8e1089e058f0db753e798240c36de7f \
size 175875
python.versions 314
if {${name} ne ${subport}} {
depends_lib-append \
port:py${python.version}-networkx \
port:py${python.version}-numpy \
port:rdkit
test.run yes
}