casa-mp-base

# -*- 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

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PortSystem          1.0

PortGroup           python 1.0

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name                py-MDAnalysis

version             0.19.2

revision            0

categories-append   science

platforms           darwin

license             GPL-2.0+

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python.versions     27 36 37

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

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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.

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homepage            https://www.mdanalysis.org/

master_sites        pypi:[string index ${python.rootname} 0]/${python.rootname}

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

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checksums           rmd160  7dab230b0e9770eeb0f760310660fe26dd70d9b2 \

                    sha256  c5395bbafa5efca2e1aee4715d26129844140c47cb8301da0293106cb969de7d \

                    size    16457970

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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

}