# -*- 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-pymatgen
version             2022.5.19
revision            0

categories-append   science
license             MIT
maintainers         {nist.gov:joe.fowler @joefowler} openmaintainer

description         Python Materials Genomics (pymatgen) is a robust materials analysis code
long_description \
    ${description} that defines core object representations for structures \
    and molecules with support for many electronic structure codes. \
    It is currently the core analysis code powering the Materials Project.

homepage            https://pymatgen.org/

checksums           rmd160  1a01f5ce6b92ab2f90f916c397576813e9d5d592 \
                    sha256  08be542ac5449b956022cf17c1c0488b79d6b885bd1861b9120a2216d4e33548 \
                    size    2620264

python.versions     38 39 310

if {${name} ne ${subport}} {
    depends_build-append \
        port:py${python.version}-cython \
        port:py${python.version}-setuptools

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

    depends_run-append \
        port:py${python.version}-beautifulsoup4 \
        port:py${python.version}-matplotlib \
        port:py${python.version}-monty \
        port:py${python.version}-networkx \
        port:py${python.version}-palettable \
        port:py${python.version}-pandas \
        port:py${python.version}-plotly \
        port:py${python.version}-requests \
        port:py${python.version}-ruamel-yaml \
        port:py${python.version}-scipy \
        port:py${python.version}-spglib \
        port:py${python.version}-sympy \
        port:py${python.version}-tabulate \
        port:py${python.version}-uncertainties
}