# -*- 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             2026.4.0
revision            0

categories-prepend  science
supported_archs     noarch
platforms           {darwin any > 13}
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  c0b5512a62389dec4b6374c4b0450570b1341b67 \
                    sha256  b71fdd6e2ee4cfbe0bd09e0fc0e29f53c89eb9e4a3e98451a80ede7cac5db84a \
                    size    139333

python.default_version 314
python.pep517_backend uv

patchfiles-append   patch-pyproject.toml.diff

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
