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made GSD windows support optional, now raises Error #2090

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Merged
tylerjereddy merged 1 commit into from
Oct 8, 2018
Merged

made GSD windows support optional, now raises Error #2090

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9 changes: 7 additions & 2 deletions package/MDAnalysis/coordinates/GSD.py
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Original file line number Diff line number Diff line change
Expand Up @@ -47,9 +47,11 @@
from __future__ import absolute_import, division

import numpy as np
from . import base
import gsd.hoomd
import os
if os.name != 'nt':
import gsd.hoomd

from . import base

class GSDReader(base.ReaderBase):
"""Reader for the GSD format.
Expand All @@ -70,6 +72,9 @@ def __init__(self, filename, **kwargs):

.. versionadded:: 0.17.0
"""
if os.name == 'nt':
raise NotImplementedError("GSD format not supported on Windows")

super(GSDReader, self).__init__(filename, **kwargs)
self.filename = filename
self.open_trajectory()
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8 changes: 7 additions & 1 deletion package/MDAnalysis/topology/GSDParser.py
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Expand Up @@ -52,7 +52,10 @@
"""
from __future__ import absolute_import

import gsd.hoomd
import os
if os.name != 'nt':
# not supported on windows
import gsd.hoomd
import numpy as np

from . import guessers
Expand Down Expand Up @@ -106,6 +109,9 @@ def parse(self, **kwargs):

.. versionadded:: 0.17.0
"""
if os.name == 'nt':
raise NotImplementedError("GSD format not supported on Windows")

attrs = {}

with gsd.hoomd.open(self.filename,mode='rb') as t :
Expand Down
29 changes: 16 additions & 13 deletions package/setup.py
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Original file line number Diff line number Diff line change
Expand Up @@ -511,6 +511,21 @@ def dynamic_author_list():
config = Config()
exts, cythonfiles = extensions(config)

install_requires = [
'numpy>=1.10.4',
'biopython>=1.71',
'networkx>=1.0',
'GridDataFormats>=0.4.0',
'six>=1.4.0',
'mmtf-python>=1.0.0',
'joblib',
'scipy>=1.0.0',
'matplotlib>=1.5.1',
'mock',
]
if not os.name == 'nt':
install_requires.append('gsd>=1.4.0')

setup(name='MDAnalysis',
version=RELEASE,
description=('An object-oriented toolkit to analyze molecular dynamics '
Expand Down Expand Up @@ -545,19 +560,7 @@ def dynamic_author_list():
setup_requires=[
'numpy>=1.10.4',
],
install_requires=[
'gsd>=1.4.0',
'numpy>=1.10.4',
'biopython>=1.71',
'networkx>=1.0',
'GridDataFormats>=0.4.0',
'six>=1.4.0',
'mmtf-python>=1.0.0',
'joblib',
'scipy>=1.0.0',
'matplotlib>=1.5.1',
'mock',
],
install_requires=install_requires,
# extras can be difficult to install through setuptools and/or
# you might prefer to use the version available through your
# packaging system
Expand Down