# -*- 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-ase
version             3.29.0
revision            0

categories-append   science
platforms           {darwin any}
supported_archs     noarch
license             LGPL-2.1+
maintainers         {reneeotten @reneeotten} openmaintainer

description         Atomic Simulation Environment
long_description    {*}${description}

homepage            https://ase-lib.org/

checksums           rmd160  b251168163e2beb21790e7f4604c73beab10fee4 \
                    sha256  ef4e2caa38169e3fbbc4164764a060d1877a6692519a4bed82521328eeb0d9aa \
                    size    2466051

python.versions     314

if {${name} ne ${subport}} {
    depends_lib-append \
                    port:py${python.version}-matplotlib \
                    port:py${python.version}-numpy \
                    port:py${python.version}-scipy

    depends_test-append \
                    port:py${python.version}-pytest-xdist

    test.run        yes
}