macports-ports/python/py-openbabel2/Portfile

# -*- 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

# these are the bindings for OpenBabel 2.x
name                py-openbabel2
python.rootname     openbabel
version             2.4.1
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  898e24b4ca3e1a777d18aa3c7aa882d0e122a758 \
                    sha256  bc536b292fece9763a65b04fe637af9d393ae17f656321305fe2569a0d8de43f \
                    size    74434

python.versions     310 311 312

livecheck.type      none

if {${name} ne ${subport}} {
    conflicts       py${python.version}-openbabel

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

    depends_lib-append \
                    port:openbabel2

    # reaction.h: error: ‘shared_ptr’ is not a member of ‘std’
    compiler.cxx_standard 2011

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

    # deactivate hack to have a smooth transition from the original py-openbabel
    # (providing version 2.x) to the legacy py-openbabel2 port
    pre-activate {
        if {![catch {set installed [lindex [registry_active py${python.version}-openbabel] 0]}]} {
            set _version [lindex $installed 1]
            if {[vercmp $_version ${version}] <= 0} {
                registry_deactivate_composite py${python.version}-openbabel "" [list ports_nodepcheck 1]
            }
        }
    }
}