Files
2026-05-27 13:22:29 -04:00

72 lines
2.4 KiB
Tcl

# -*- 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 github 1.0
PortGroup cmake 1.1
PortGroup wxWidgets 1.0
PortGroup boost 1.0
github.setup openbabel openbabel 3-2-0 openbabel-
github.tarball_from archive
conflicts openbabel2
version [string map {- .} ${github.version}]
revision 0
categories science devel chemistry
license GPL-2
maintainers {reneeotten @reneeotten} openmaintainer
description Open Babel is a chemical toolbox designed to speak the many languages \
of chemical data
long_description {*}${description}. It's an open, collaborative project allowing anyone to \
search, convert, analyze, or store data from molecular modeling, chemistry, \
solid-state materials, biochemistry, or related areas.
homepage https://openbabel.org
checksums rmd160 239c9ad15c0cba77f0834ac880a028078ba8f712 \
sha256 9aadf9f01b3d0ff15d49fcd28d7d76b923218d70bf10f99ea4cc466607f4c7e2 \
size 37815471
boost.version 1.88
compiler.cxx_standard 2011
compiler.thread_local_storage yes
configure.args-append \
-DBUILD_GUI=OFF \
-DBUILD_TESTING=OFF \
-DENABLE_OPENMP=OFF \
-DOPTIMIZE_NATIVE=OFF
depends_build-append \
path:share/pkgconfig/eigen3.pc:eigen3 \
port:pkgconfig
depends_lib-append port:coordgen \
path:lib/pkgconfig/cairo.pc:cairo \
port:libxml2 \
port:maeparser \
path:lib/pkgconfig/RapidJSON.pc:rapidjson \
port:zlib
variant native description {Enable CPU-specific optimizations} {
configure.args-replace \
-DOPTIMIZE_NATIVE=OFF \
-DOPTIMIZE_NATIVE=ON
}
variant gui description {Build the OpenBabelGUI} {
wxWidgets.use wxWidgets-3.2
depends_lib-append \
port:${wxWidgets.port}
configure.args-replace \
-DBUILD_GUI=OFF \
-DBUILD_GUI=ON
configure.args-append \
-DwxWidgets_CONFIG_EXECUTABLE=${wxWidgets.wxconfig}
}