# -*- 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                chemex
version             2024.9.25
revision            0

categories-prepend  science
supported_archs     noarch
platforms           {darwin any}
license             GPL-3+
maintainers         {reneeotten @reneeotten} openmaintainer

description         ChemEx is an analysis program for chemical exchange detected by NMR
long_description    {*}${description}

homepage            https://github.com/gbouvignies/chemex

checksums           rmd160  9fd27a28705bf0b2ed4b65508980b459c9c69fd7 \
                    sha256  a06f1fc8a4f7cb6a16ff368071fba2d391b1407a1ccf0d54318ea7ba1836278e \
                    size    105181

python.default_version 312
python.pep517_backend pdm

depends_lib-append  port:py${python.version}-annotated_types \
                    port:py${python.version}-cachetools \
                    port:py${python.version}-emcee3 \
                    port:py${python.version}-lmfit \
                    port:py${python.version}-matplotlib \
                    port:py${python.version}-numdifftools \
                    port:py${python.version}-numpy \
                    port:py${python.version}-pydantic \
                    port:py${python.version}-rapidfuzz \
                    port:py${python.version}-rich \
                    port:py${python.version}-scipy