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Becksteinlab / conda-gromacs-4.6.7

Conda package of gromacs 4.6.7 intended for testing purposes.
MIT License
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fails to install under Python 3.6 #4

Open orbeckst opened 6 years ago

orbeckst commented 6 years ago

I am trying to install in a anaconda Python 3.6 environment but it fails because it depends on Python 3.5 (or 2.7). We don't really need dependency information for Python (maybe update get_gmx slightly to use from __future__ import print_function) but otherwise this should just install.

dependency

$ conda info gromacs-4.6.7
Fetching package metadata .................

gromacs-4.6.7 0.1.0 py27_1
--------------------------
file name   : gromacs-4.6.7-0.1.0-py27_1.tar.bz2
name        : gromacs-4.6.7
version     : 0.1.0
build string: py27_1
build number: 1
channel     : Becksteinlab
size        : 197.3 MB
arch        : x86_64
license     : LGPL
md5         : 6d78cd5a6c3d6880a9824358612802ef
noarch      : None
platform    : linux
requires    : ()
subdir      : linux-64
url         : https://conda.anaconda.org/Becksteinlab/linux-64/gromacs-4.6.7-0.1.0-py27_1.tar.bz2
dependencies:
    python 2.7*

gromacs-4.6.7 0.1.0 py35_1
--------------------------
file name   : gromacs-4.6.7-0.1.0-py35_1.tar.bz2
name        : gromacs-4.6.7
version     : 0.1.0
build string: py35_1
build number: 1
channel     : Becksteinlab
size        : 196.9 MB
arch        : x86_64
has_prefix  : False
license     : LGPL
md5         : a58afdbddd325e6b79d24f7a42265251
noarch      : None
platform    : linux
requires    : ()
subdir      : linux-64
url         : https://conda.anaconda.org/Becksteinlab/linux-64/gromacs-4.6.7-0.1.0-py35_1.tar.bz2
dependencies:
    python 3.5*