source: trunk/dports/science/pynmr/Portfile

Last change on this file was 128656, checked in by ryandesign@…, 3 years ago

update Jack Howarth's email address (#45721)

  • Property svn:eol-style set to native
  • Property svn:keywords set to Id
File size: 2.4 KB
Line 
1# -*- 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
2# $Id: Portfile 128656 2014-11-25 00:29:06Z ryandesign@macports.org $
3
4PortSystem          1.0
5PortGroup           python 1.0
6
7name                pynmr
8version             0.37f
9revision            1
10categories          science chemistry
11maintainers         gmail.com:howarth.at.macports
12
13description         NMR plugin for pymol
14
15long_description    PyNMR features loading multiple pdb files, dihedral restraints checks, \
16                    NOE restraints checks, and superimposition. PyNMR was written by Leigh Willard.
17
18homepage            http://pelican.rsvs.ulaval.ca/mediawiki/index.php/PyNMR
19platforms           darwin
20master_sites        http://diablo.ucsc.edu/~wgscott/pymol/
21distname            ${name}_${version}_src
22
23checksums           md5  cb4a3906766681ce9230ef5515e1aa1c \
24                    sha1 21aa455421ac4742c62ede878c2e42e22f9eca51 \
25                    rmd160 53f40a547a5ef0a9c0725491c988b3e8bcb8706c
26
27python.default_version  26
28
29patchfiles          pynmr.diff
30
31depends_build       port:swig-python
32depends_lib         port:meschach port:pymol
33
34# pymol is not universal
35universal_variant   no
36
37use_configure       no
38use_parallel_build  no
39use_bzip2           yes
40
41build.dir           ${worksrcpath}/pmg_tk/startup/pynmr
42build.cmd           ./run.macos
43build.target
44
45post-patch {
46    reinplace  "s|@PREFIX@|${prefix}|g" ${build.dir}/run.macos \
47                                        ${build.dir}/test_data/test.script
48    reinplace  "s|Numeric import|numpy.oldnumeric import|g"  ${build.dir}/SVDSuperimposer.py \
49                                                             ${build.dir}/rmsd.py
50    reinplace  "s|LinearAlgebra import|numpy.oldnumeric.linear_algebra import|g" ${build.dir}/SVDSuperimposer.py
51    reinplace  "s|import MLab|import numpy.oldnumeric.mlab as MLab|g" ${build.dir}/rmsd.py
52}
53
54destroot {
55    xinstall -d ${destroot}${python.pkgd}/pmg_tk/startup/pynmr
56    xinstall -m 644 ${worksrcpath}/pmg_tk/startup/plug_nmr.py ${destroot}${python.pkgd}/pmg_tk/startup
57    xinstall -m 644 -W ${build.dir} Crmsd.so BIOPYTHON_LICENSE LICENSE README ${destroot}${python.pkgd}/pmg_tk/startup/pynmr
58    foreach d {help images test_data} {
59       copy ${build.dir}/${d} ${destroot}${python.pkgd}/pmg_tk/startup/pynmr
60    }
61    eval xinstall -m 644 [glob ${build.dir}/*.py] ${destroot}${python.pkgd}/pmg_tk/startup/pynmr
62}
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