undeclared dependencies
I created a conda environment and installed kwant and semicon like so:
conda create -n test-env
source activate test-env
conda install kwant=1.3.3
pip install git+https://gitlab.kwant-project.org/semicon/semicon.git
Then
$ python -c 'import semicon'
File "/home/jbw/.local/miniconda/envs/testu/lib/python3.6/site-packages/semicon/__init__.py", line 5, in <module>
exec('from . import {0}'.format(module))
File "<string>", line 1, in <module>
File "/home/jbw/.local/miniconda/envs/testu/lib/python3.6/site-packages/semicon/parameters.py", line 4, in <module>
import yaml
ModuleNotFoundError: No module named 'yaml'
once I install pyyaml
I get a similar error that xarray
needs to be installed.
After installing these packages I then try to import semicon again:
$ python -c 'import semicon'
Traceback (most recent call last):
File "<string>", line 1, in <module>
File "/home/jbw/.local/miniconda/envs/testu/lib/python3.6/site-packages/semicon/__init__.py", line 5, in <module>
exec('from . import {0}'.format(module))
File "<string>", line 1, in <module>
File "/home/jbw/.local/miniconda/envs/testu/lib/python3.6/site-packages/semicon/models.py", line 10, in <module>
from . import misc
File "/home/jbw/.local/miniconda/envs/testu/lib/python3.6/site-packages/semicon/misc.py", line 11, in <module>
from scipy.spatial.transform import Rotation
ModuleNotFoundError: No module named 'scipy.spatial.transform'
A bit of googling reveals that this package is only available in the development version of scipy.
Probably we should not have bleeding-edge dependencies in library code, as we want the library to be of use to as many people as possible.