macports-ports/python/py-molmod/Portfile

# -*- 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           python 1.0

github.setup        molmod molmod 1.1 v
name                py-molmod
platforms           darwin
license             GPL-3+
categories-append   chemistry
maintainers         mcmaster.ca:yangx59

description         Python library with many components that are useful to write molecular modeling programs

long_description    MolMod is a python package that is used by Zeobuilder and Tracks. Zeobuilder is \
                    a GUI toolkit for the interactive construction of complex molecular models. \
                    Tracks is a collection of molecular dynamics and monte carlo analysis scripts. \
                    MolMod groups a series of modules that are useful for analyzing molecular modeling \
                    simulations, and for setting up complex input files. MolMod can also be used as a \
                    library for batch work, independent of Zeobuilder or Tracks.

homepage            https://molmod.github.io/molmod/index.html

python.versions     27

checksums           rmd160  48b3ca0cca37fbf61720e5642e539c180d087dc3 \
                    sha256  a9612f0fecf6e69b251034275d1261376f820658dc86f1d5aaf981b24774572a

if {${name} ne ${subport}} {
    depends_lib-append  port:py${python.version}-numpy \
                        port:py${python.version}-nose \
                        port:py${python.version}-sphinx \
                        port:py${python.version}-matplotlib

    post-destroot {
        reinplace "s|${destroot}${prefix}|${prefix}|" ${destroot}${python.pkgd}/molmod/datadir.txt
    }

    livecheck.type  none
}