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                pynmr

version             0.37f

revision            1

categories          science chemistry

maintainers         {gmail.com:howarth.at.macports @jwhowarth}

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description         NMR plugin for pymol

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long_description    PyNMR features loading multiple pdb files, dihedral restraints checks, \

                    NOE restraints checks, and superimposition. PyNMR was written by Leigh Willard.

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homepage            http://pelican.rsvs.ulaval.ca/mediawiki/index.php/PyNMR

platforms           darwin

master_sites        http://diablo.ucsc.edu/~wgscott/pymol/

distname            ${name}_${version}_src

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checksums           rmd160  53f40a547a5ef0a9c0725491c988b3e8bcb8706c \

                    sha256  f45dc0b736b5e05dcf873173604dcef9c39d8fb18d28d2fd195c4e08b148f00a \

                    size    224998

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python.default_version  26

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patchfiles          pynmr.diff

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depends_build       port:swig-python

depends_lib         port:meschach port:pymol

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# pymol is not universal

universal_variant   no

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use_configure       no

use_parallel_build  no

use_bzip2           yes

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build.dir           ${worksrcpath}/pmg_tk/startup/pynmr

build.cmd           ./run.macos

build.target

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post-patch {

    reinplace  "s|@PREFIX@|${prefix}|g" ${build.dir}/run.macos \

                                        ${build.dir}/test_data/test.script

    reinplace  "s|Numeric import|numpy.oldnumeric import|g"  ${build.dir}/SVDSuperimposer.py \

                                                             ${build.dir}/rmsd.py

    reinplace  "s|LinearAlgebra import|numpy.oldnumeric.linear_algebra import|g" ${build.dir}/SVDSuperimposer.py

    reinplace  "s|import MLab|import numpy.oldnumeric.mlab as MLab|g" ${build.dir}/rmsd.py

}

​

destroot {

    xinstall -d ${destroot}${python.pkgd}/pmg_tk/startup/pynmr

    xinstall -m 644 ${worksrcpath}/pmg_tk/startup/plug_nmr.py ${destroot}${python.pkgd}/pmg_tk/startup

    xinstall -m 644 -W ${build.dir} Crmsd.so BIOPYTHON_LICENSE LICENSE README ${destroot}${python.pkgd}/pmg_tk/startup/pynmr

    foreach d {help images test_data} {

       copy ${build.dir}/${d} ${destroot}${python.pkgd}/pmg_tk/startup/pynmr

    }

    xinstall -m 644 {*}[glob ${build.dir}/*.py] ${destroot}${python.pkgd}/pmg_tk/startup/pynmr

}