# -*- 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
github.tarball_from archive
revision            3
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  9779a1e25114d33dde3fc86942d7e3ca342eaa28 \
                    sha256  16b98fc0e7d743fe694f1a3e7be882f7ef0fe8ca00b0071edcdeade6c226f2ef \
                    size    2018129

python.default_version  312

patchfiles          patch-setup.py.diff

subport arpeggio-devel {
    github.setup        PDBeurope arpeggio 258855b8ba13447f2776b232ca32884d637c6a9c
    github.tarball_from tarball
    version             20241024-[string range ${github.version} 0 7]
    revision            0
    conflicts           arpeggio
    patchfiles          patch-setup-devel.py.diff
    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