# -*- 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                py-MDAnalysis
version             0.19.2
revision            0
categories-append   science
platforms           darwin
license             GPL-2.0+

python.versions     27 36 37

maintainers         {gmail.com:giovanni.bussi @GiovanniBussi} openmaintainer

description         An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
long_description    ${description} \
                    It also reads other formats (e.g. PDB files and XYZ format trajectories. \
                    It can write most of the coordinate formats, too, together with atom selections for use \
                    in Gromacs, CHARMM, VMD and PyMOL.

homepage            https://www.mdanalysis.org/
master_sites        pypi:[string index ${python.rootname} 0]/${python.rootname}

distname            ${python.rootname}-${version}

checksums           rmd160  7dab230b0e9770eeb0f760310660fe26dd70d9b2 \
                    sha256  c5395bbafa5efca2e1aee4715d26129844140c47cb8301da0293106cb969de7d \
                    size    16457970

if {${name} ne ${subport}} {
    # OpenMP is disabled now
    # See https://github.com/macports/macports-ports/pull/3902 for an attempt to fix the issue
    build.env-append        MDA_USE_OPENMP=0
    depends_build-append    port:py${python.version}-setuptools
    depends_lib-append      port:py${python.version}-biopython \
                            port:py${python.version}-GridDataFormats \
                            port:py${python.version}-gsd \
                            port:py${python.version}-joblib \
                            port:py${python.version}-matplotlib \
                            port:py${python.version}-mock \
                            port:py${python.version}-mmtf-python \
                            port:py${python.version}-networkx \
                            port:py${python.version}-numpy \
                            port:py${python.version}-scipy \
                            port:py${python.version}-six
    livecheck.type          none
}