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

PortGroup           active_variants 1.1

PortGroup           compilers 1.0

PortGroup           github 1.0

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github.setup        schrodinger pymol-open-source 2.3.0 v

name                pymol

categories          science chemistry

license             PSF

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

description         Molecular graphics system

long_description    PyMOL is a molecular graphics system with an embedded Python interpreter \

                    designed for real-time visualization and rapid generation of high-quality \

                    molecular graphics images and animations.

​

platforms           darwin

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homepage            https://www.pymol.org/

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checksums           rmd160  2ff2f0035e3ff089a77c5e705d031fe2ac2848b4 \

                    sha256  802a30e638a3bdc6254ece60bef3e9739a619335ce55c36b3a4c51adf5d646d5 \

                    size    10448291

​

compilers.choose    cc cxx

compilers.setup

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variant python27 conflicts python34 python35 python36 python37 description {Use Python 2.7} {}

variant python34 conflicts python27 python35 python36 python37 description {Use Python 3.4} {}

variant python35 conflicts python27 python34 python36 python37 description {Use Python 3.5} {}

variant python36 conflicts python27 python34 python35 python37 description {Use Python 3.6} {}

variant python37 conflicts python27 python34 python35 python36 description {Use Python 3.7} {}

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if {[variant_isset python34]} {

    python.default_version 34

} elseif {[variant_isset python35]} {

    python.default_version 35

} elseif {[variant_isset python36]} {

    python.default_version 36

} elseif {[variant_isset python37]} {

    python.default_version 37

} else {

    default_variants +python27

    python.default_version 27

}

python.link_binaries no

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depends_lib-append  port:freeglut \

                    port:freetype \

                    port:glew \

                    port:glm \

                    port:libpng \

                    port:libGLU \

                    port:libxml2 \

                    port:mesa \

                    port:py${python.version}-numpy \

                    port:py${python.version}-pmw \

                    port:py${python.version}-pyqt5 \

                    port:py${python.version}-tkinter \

                    port:tcl \

                    port:tk

depends_run         port:xdpyinfo

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# py-scipy is not universal

universal_variant   no

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patchfiles          pymol_shell.diff \

                    pmg_tk_platform.patch \

                    apbs-psize.patch  \

                    pdb2pqr.patch \

                    setup.py.diff

​

require_active_variants tcl "" corefoundation

require_active_variants tk "" quartz

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post-patch {

    reinplace  "s|@PREFIX@|${prefix}|g" ${worksrcpath}/setup.py ${worksrcpath}/modules/pmg_tk/startup/apbs_tools.py

    reinplace  "s|@@PYTHON_PKGDIR@@|${python.pkgd}|g" ${worksrcpath}/setup/pymol_macports

    reinplace  "s|@@PYTHON_BINARY@@|${python.bin}|g" ${worksrcpath}/setup/pymol_macports

    reinplace  "s|cxx + \' \' + cxxflags|\'${configure.cxx} \' + cxxflags|g" ${worksrcpath}/monkeypatch_distutils.py

}

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use_parallel_build yes

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build {}

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destroot.cmd ${python.bin} setup.py --no-user-cfg --osx-frameworks --glut --use-msgpackc=no

​

pre-destroot {