| 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 |
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| 2 | # $Id$ |
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| 3 | |
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| 4 | PortSystem 1.0 |
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| 5 | PortGroup python 1.0 |
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| 6 | PortGroup compilers 1.0 |
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| 7 | PortGroup github 1.0 |
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| 8 | |
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| 9 | name py-molmod |
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| 10 | version 1.1 |
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| 11 | platforms darwin |
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| 12 | license GPL-3+ |
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| 13 | categories-append chemistry |
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| 14 | maintainers mcmaster.ca:yangx59 |
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| 15 | |
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| 16 | description Python library with many compoments that are useful to write molecular modeling programs |
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| 17 | |
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| 18 | long_description MolMod is a python package that is used by Zeobuilder and Tracks. Zeobuilder is \ |
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| 19 | a GUI toolkit for the interactive construction of complex molecular models. \ |
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| 20 | Tracks is a collection of molecular dynamics and monte carlo analysis scripts. \ |
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| 21 | MolMod groups a series of modules that are usefull for analyzing molecular modeling \ |
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| 22 | simulations, and for setting op complex input files. MolMod can also be used as a \ |
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| 23 | library for batch work, independent of Zeobuilder or Tracks. |
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| 24 | |
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| 25 | homepage http://molmod.github.io/molmod/index.html |
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| 26 | |
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| 27 | python.versions 27 34 |
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| 28 | python.default_version 27 |
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| 29 | |
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| 30 | github.setup molmod molmod 1.1 v |
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| 31 | compilers.setup -gcc45 -gcc46 -gcc47 -gcc48 -gcc49 |
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| 32 | |
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| 33 | checksums rmd160 48b3ca0cca37fbf61720e5642e539c180d087dc3 \ |
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| 34 | sha256 a9612f0fecf6e69b251034275d1261376f820658dc86f1d5aaf981b24774572a |
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| 35 | |
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| 36 | if {${name} ne ${subport}} { |
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| 37 | depends_lib-append port:py${python.version}-numpy \ |
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| 38 | port:py${python.version}-nose \ |
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| 39 | port:py${python.version}-sphinx \ |
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| 40 | port:py${python.version}-matplotlib |
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| 41 | |
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| 42 | post-destroot { |
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| 43 | reinplace "s|${destroot}${prefix}|${prefix}|" ${destroot}${python.pkgd}/molmod/datadir.txt |
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| 44 | } |
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| 45 | |
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| 46 | livecheck.type none |
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| 47 | } else { |
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| 48 | livecheck.type regex |
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| 49 | livecheck.regex {molmod-([0-9\.]+)} |
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| 50 | } |
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