# -*- 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
PortGroup           github 1.0

github.setup        PDBeurope arpeggio 1.4.4 v
github.tarball_from archive
revision            0
conflicts           arpeggio-devel

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

description         Calculation of interatomic interactions in molecular structures
long_description    {*}${description}

checksums           rmd160  795f9d78a5ffbb5c3ed98c2cae7beac8084d1bb0 \
                    sha256  29cf3e6f7dcb4ef9e027cf4dbf94ccfc385f0e8f5dbbd85d9887dcc72b26871d \
                    size    59069

python.default_version  312

subport arpeggio-devel {
    github.setup        PDBeurope arpeggio 258855b8ba13447f2776b232ca32884d637c6a9c
    github.tarball_from tarball
    version             20241024-[string range ${github.version} 0 7]
    revision            0
    conflicts           arpeggio
    checksums           rmd160  1abaea6d60d18ea650c6b84f4274051cc74eeebb \
                        sha256  796581fdb52f028ae9a30c8a184fe67925729accdedea512cb4a77da30dc1076 \
                        size    59090
}

depends_lib-append  port:openbabel2 \
                    port:py${python.version}-biopython \
                    port:py${python.version}-openbabel2 \
                    port:py${python.version}-numpy \
                    port:py${python.version}-pdbecif