# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)

from spack import *


class PyPymol(PythonPackage):
    """PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D
       visualization of proteins, small molecules, density, surfaces, and
       trajectories. It also includes molecular editing, ray tracing, and
       movies. Open Source PyMOL is free to everyone!"""

    homepage = "https://pymol.org"
    url      = "https://github.com/schrodinger/pymol-open-source/archive/v2.4.0.tar.gz"

    version('2.5.0', sha256='aa828bf5719bd9a14510118a93182a6e0cadc03a574ba1e327e1e9780a0e80b3')
    version('2.4.0', sha256='5ede4ce2e8f53713c5ee64f5905b2d29bf01e4391da7e536ce8909d6b9116581')
    version('2.3.0', sha256='62aa21fafd1db805c876f89466e47513809f8198395e1f00a5f5cc40d6f40ed0')

    depends_on('python+tkinter@2.7:', type=('build', 'run'), when='@2.3.0:2.4.0')
    depends_on('python+tkinter@3.6:', type=('build', 'run'), when='@2.5.0:')
    # pip silently replaces distutils with setuptools
    depends_on('py-setuptools', type='build')
    depends_on('gl')
    depends_on('glew')
    depends_on('libpng')
    depends_on('freetype')
    depends_on('glm')
    depends_on('libmmtf-cpp')
    depends_on('msgpack-c@2.1.5:')
    depends_on('netcdf-cxx4')
    depends_on('libxml2')
    depends_on('py-pmw-patched', type=('build', 'run'))
    depends_on('py-pyqt5', type=('build', 'run'))
    depends_on('py-pmw', type=('build', 'run'))
    depends_on('libmmtf-cpp', type=('build', 'run', 'link'))
    depends_on('msgpack-c', type=('build', 'run'))
    depends_on('libpng', type=('build', 'run'))
    depends_on('py-numpy', type=('build', 'run'))

    def install_options(self, spec, prefix):
        return ['--no-launcher']

    @run_after('install')
    def install_launcher(self):
        binpath = self.prefix.bin
        mkdirp(self.prefix.bin)
        fname = join_path(binpath, 'pymol')
        script = join_path(python_platlib, 'pymol', '__init__.py')

        shebang = '#!/bin/sh\n'
        fdata = 'exec {0} {1} \"$@\"'.format(self.spec['python'].command,
                                             script)
        with open(fname, 'w') as new:
            new.write(shebang + fdata)
        set_executable(fname)