# -*- 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

name                py-pymatgen
github.setup        materialsproject pymatgen 2025.6.14 v
github.tarball_from archive
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  fb4257188c4733be10034f0ec33a97f7f838bdb2 \
                    sha256  5fb34d91889816240e93888a64bdf0b8d17ae23c51b9f6f9dcd5c940a90f47a6 \
                    size    272204087

python.versions     39 310 311 312 313

if {${name} ne ${subport}} {
    patchfiles      patch-numpy-pyproject.toml.diff

    depends_build-append \
        port:py${python.version}-cython

    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}-pybtex \
        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${python.version}-tqdm \
        port:py${python.version}-uncertainties
}