# -*- 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-openbabel
version             3.1.1.1
revision            0

categories-append   science chemistry devel
platforms           darwin freebsd
license             GPL-2
maintainers         {reneeotten @reneeotten} openmaintainer

description         Python interface to the Open Babel chemistry library
long_description    Open Babel is a chemical toolbox designed to speak the many \
                    languages of chemical data. It’s an open, collaborative project \
                    allowing anyone to search, convert, analyze, or store data from \
                    molecular modeling, chemistry, solid-state materials, biochemistry, \
                    or related areas.  computational chemistry. This port provides the \
                    Python bindings.

homepage            https://openbabel.org

checksums           rmd160  9dd38e8614b7743f1a3d796f126de5c1a3b5f802 \
                    sha256  bb7f8cad15f3a208f4869d7943cbb14eb7125372eba397588f207f8d19e78373 \
                    size    82811

python.versions     39 310 311 312 313

if {${name} ne ${subport}} {
    if {${python.version} < 311} {
        conflicts   py${python.version}-openbabel2
    }

    depends_build-append \
                    port:py${python.version}-setuptools \
                    path:share/pkgconfig/eigen3.pc:eigen3 \
                    port:pkgconfig \
                    port:swig-python

    depends_lib-append \
                    port:openbabel

    patchfiles      version.patch

    post-destroot {
        set docdir ${prefix}/share/doc/${subport}
        xinstall -d ${destroot}${docdir}
        xinstall -m 0644 -W ${worksrcpath} README.rst ${destroot}${docdir}
    }
}