# -*- 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-prolif
version             2.2.1
revision            0

categories-append   science
platforms           {darwin any}
supported_archs     noarch
license             Apache-2
maintainers         {reneeotten @reneeotten} openmaintainer

description         Interaction Fingerprints for protein-ligand complexes and \
                    more
long_description    {*}${description}

homepage            https://github.com/chemosim-lab/ProLIF

checksums           rmd160  4161477e9f929a3f0b3ed95d399c20d9bff93d83 \
                    sha256  06d7fa6bc443cece04c19db17685b61d34b569e5081ce88a2472437b7fcaafd9 \
                    size    10179785

python.versions     313 314

if {${name} ne ${subport}} {
    depends_lib-append \
                    port:py${python.version}-dill \
                    port:py${python.version}-MDAnalysis \
                    port:py${python.version}-multiprocess \
                    port:py${python.version}-networkx \
                    port:py${python.version}-numpy \
                    port:py${python.version}-pandas \
                    port:py${python.version}-psutil \
                    port:py${python.version}-scipy \
                    port:py${python.version}-tqdm

    # optional dependencies "plots"
    depends_lib-append \
                    port:py${python.version}-matplotlib \
                    port:py${python.version}-py3dmol
}
