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ricrogz avatar ricrogz commented on August 17, 2024
File "c:\python35\lib\site-packages\plip-1.3.3-py3.5.egg\plip\modules\report.p
y", line 100
print et.tostring(self.xmlreport, pretty_print=True)
^
SyntaxError: invalid syntax

That's your error: a "Python 2" formatted print (Python 3 requires parentheses around print arguments). I guess PLIP is not written for compatibility with Python 3.

Anyway, why would you do that? As far as I know, pymol has no support for Python 3, so you are probably running into much bigger than that this.

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o7o avatar o7o commented on August 17, 2024
That's your error: a "Python 2" formatted print (Python 3 requires parentheses 
around print arguments). I guess PLIP is not written for compatibility with Python 3.

Thanks for your info, really, I did not know the error mean. I have successful installed and ran PLIP on Ubuntu 16.04 Desktop LTS version in Virtual applications, as I know, this Ubuntu version had python 3.5 as its default python. See screenshot at link: https://goo.gl/PCUFqv
Sorry, I can not show you the screenshot for PLIP on Ubuntu 16.04 at this time. It is in my PC at office. I will check it later.

Anyway, why would you do that? As far as I know, pymol has no support for Python 3,
so you are probably running into much bigger than that this.

Officially maybe, I have used an unofficial packages from Gohlke for windows system (here the screenshoot link: https://goo.gl/uZoIbn). In my case, PyMOL 1.8.5.0 ran well in python 3.5. I will show you the screenshoot later.

one more, macport has released PyMOL 1.8.4.0 and it has variant port for python 3.5.

# -*- 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
# $Id$

PortSystem          1.0
PortGroup           python 1.0
PortGroup           active_variants 1.1
PortGroup           compilers 1.0

name                pymol
version             1.8.4.0
categories          science chemistry
license             PSF
maintainers         gmail.com:howarth.at.macports 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

homepage            http://www.pymol.org/

master_sites        sourceforge
fetch.type          svn
svn.url             https://svn.code.sf.net/p/pymol/code/trunk/pymol
svn.revision        4163
worksrcdir          pymol

compilers.choose    cc cxx
compilers.setup

variant python27 conflicts python34 python35 description {Use Python 2.7} {}
variant python34 conflicts python27 python35 description {Use Python 3.4} {}
variant python35 conflicts python27 python34 description {Use Python 3.5} {}
if {[variant_isset python34]} {
    python.default_version 34
} elseif {[variant_isset python35]} {
    python.default_version 35
} else {
    default_variants +python27
    python.default_version 27
}
python.link_binaries no

depends_lib-append  port:freeglut \
                    port:freetype \
                    port:glew \
                    port:libpng \
                    port:libGLU \
                    port:mesa \
                    port:py${python.version}-numpy \
                    port:py${python.version}-pmw \
                    port:py${python.version}-scipy \
                    port:py${python.version}-tkinter \
                    port:tcl \
                    port:tk
depends_run         port:xdpyinfo

# py-scipy is not universal
universal_variant   no

patchfiles          pymol_shell.diff \
                    pmg_tk_platform.patch \
                    apbs-psize.patch 

if {${os.platform} eq "darwin" && ${os.major} >= 12} {
    patchfiles-append pymol-use-glkit.diff
}

require_active_variants tcl "" corefoundation
require_active_variants tk "" quartz

post-patch {
    reinplace  "s|@PREFIX@|${prefix}|g" ${worksrcpath}/setup.py
    reinplace  "s|@@PYTHON_PKGDIR@@|${python.pkgd}|g" ${worksrcpath}/setup/pymol_macports
    reinplace  "s|@@PYTHON_BINARY@@|${python.bin}|g" ${worksrcpath}/setup/pymol_macports
    reinplace  "s|\"-O3\",|\"-O3\", \"-g\",|g" ${worksrcpath}/setup.py
    reinplace  "s|cxx + \' \' + cxxflags|\'${configure.cxx} \' + cxxflags|g" ${worksrcpath}/monkeypatch_distutils.py
}

use_parallel_build yes

build {}

pre-destroot {
    destroot.env CC="${configure.cc}" CXX="${configure.cxx}" PREFIX_PATH="${prefix}"
}

post-destroot {
     file copy ${worksrcpath}/setup/pymol_macports ${destroot}${prefix}/bin/pymol
     file attributes ${destroot}${prefix}/bin/pymol -permissions a+x
     foreach d {data modules examples test scripts} {
        copy ${worksrcpath}/${d} ${destroot}${python.pkgd}/pymol
    }
}

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ricrogz avatar ricrogz commented on August 17, 2024

Two things learned: I did not know about these ports for Python 3, and neither that there were already builds of PyMOL 1.8.5.0.

But, anyway, I guess most of the available PyMOL scripts and plugins are designed for the Python 2 builds, and, while some might run flawlessly on Python 3 builds, others will cause a lot of trouble due to the small differences between Python 2 and 3.

So, for now, and unless I had a very good reason for not to, I would stay with the Python 2 PyMOL, at least until an 'official' Python 3 version has been around for some time, and people have had time enough to port their favorite scripts.

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ricrogz avatar ricrogz commented on August 17, 2024

I have to admit you intrigued me. I'm having a second look at PyMOL & PLIP on Python 3. The print is the least of the problems, but maybe I can work out something and submit it as a pull request.

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ssalentin avatar ssalentin commented on August 17, 2024

Thank you for the feedback and the discussion.
Right now, PLIP only supports Python 2.x
Porting the PLIP code to Python 3 is definitely planned for the first half of the next year.

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