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Renee Otten
45 lines
1.6 KiB
Tcl
45 lines
1.6 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
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PortSystem 1.0
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PortGroup python 1.0
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name py-prolif
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version 2.2.0
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revision 0
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categories-append science
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platforms {darwin any}
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supported_archs noarch
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license Apache-2
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maintainers {reneeotten @reneeotten} openmaintainer
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description Interaction Fingerprints for protein-ligand complexes and \
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more
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long_description {*}${description}
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homepage https://github.com/chemosim-lab/ProLIF
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checksums rmd160 0340830e3311de228c5a8f00dd1bd6c63c3e3542 \
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sha256 cc9e708582734dae5b05a92c7e5e3b87c1b8f852fa43656fdd6c4a2f082e7f58 \
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size 10178767
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python.versions 313 314
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if {${name} ne ${subport}} {
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depends_lib-append \
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port:py${python.version}-dill \
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port:py${python.version}-MDAnalysis \
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port:py${python.version}-multiprocess \
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port:py${python.version}-networkx \
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port:py${python.version}-numpy \
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port:py${python.version}-pandas \
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port:py${python.version}-psutil \
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port:py${python.version}-scipy \
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port:py${python.version}-tqdm
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# optional dependencies "plots"
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depends_lib-append \
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port:py${python.version}-matplotlib \
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port:py${python.version}-py3dmol
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}
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