Usage instructions for pip-installed cbfv (possible bug)

[sgbaird]

PyPi doesn't have a description, and it's not obvious from the README. Taylor and I are both having trouble with it. In its own conda environment:

(cbfv) C:\Users\sterg>pip install cbfv
Collecting cbfv
  Downloading cbfv-1.0.0-py3-none-any.whl (5.0 kB)
Collecting numpy
  Using cached numpy-1.21.2-cp38-cp38-win_amd64.whl (14.0 MB)
Collecting pytest
  Downloading pytest-6.2.5-py3-none-any.whl (280 kB)
     |████████████████████████████████| 280 kB 819 kB/s
Collecting pandas
  Using cached pandas-1.3.3-cp38-cp38-win_amd64.whl (10.2 MB)
Collecting tqdm
  Downloading tqdm-4.62.3-py2.py3-none-any.whl (76 kB)
     |████████████████████████████████| 76 kB 5.5 MB/s
Collecting python-dateutil>=2.7.3
  Using cached python_dateutil-2.8.2-py2.py3-none-any.whl (247 kB)
Collecting pytz>=2017.3
  Downloading pytz-2021.3-py2.py3-none-any.whl (503 kB)
     |████████████████████████████████| 503 kB 2.2 MB/s
Collecting iniconfig
  Downloading iniconfig-1.1.1-py2.py3-none-any.whl (5.0 kB)
Collecting atomicwrites>=1.0
  Downloading atomicwrites-1.4.0-py2.py3-none-any.whl (6.8 kB)
Collecting py>=1.8.2
  Downloading py-1.10.0-py2.py3-none-any.whl (97 kB)
     |████████████████████████████████| 97 kB 2.2 MB/s
Collecting pluggy<2.0,>=0.12
  Downloading pluggy-1.0.0-py2.py3-none-any.whl (13 kB)
Collecting colorama
  Using cached colorama-0.4.4-py2.py3-none-any.whl (16 kB)
Collecting packaging
  Downloading packaging-21.0-py3-none-any.whl (40 kB)
     |████████████████████████████████| 40 kB ...
Collecting attrs>=19.2.0
  Downloading attrs-21.2.0-py2.py3-none-any.whl (53 kB)
     |████████████████████████████████| 53 kB 1.0 MB/s
Collecting toml
  Using cached toml-0.10.2-py2.py3-none-any.whl (16 kB)
Collecting six>=1.5
  Using cached six-1.16.0-py2.py3-none-any.whl (11 kB)
Collecting pyparsing>=2.0.2
  Using cached pyparsing-2.4.7-py2.py3-none-any.whl (67 kB)
Installing collected packages: six, pyparsing, toml, pytz, python-dateutil, py, pluggy, packaging, numpy, iniconfig, colorama, attrs, atomicwrites, tqdm, pytest, pandas, cbfv
ERROR: pip's dependency resolver does not currently take into account all the packages that are installed. This behaviour is the source of the following dependency conflicts.
skrebate 0.6 requires scikit-learn, which is not installed.
skrebate 0.6 requires scipy, which is not installed.
automatminer 1.0.3.20200727 requires matminer==0.6.2, which is not installed.
automatminer 1.0.3.20200727 requires pymatgen==2020.01.28, which is not installed.
automatminer 1.0.3.20200727 requires scikit-learn==0.22.2, which is not installed.
automatminer 1.0.3.20200727 requires tpot==0.11.0, which is not installed.
auto-xrd 0.0.1 requires pymatgen, which is not installed.
auto-xrd 0.0.1 requires scipy, which is not installed.
tensorflow 2.5.0rc1 requires absl-py~=0.10, which is not installed.
tensorflow 2.5.0rc1 requires astunparse~=1.6.3, which is not installed.
tensorflow 2.5.0rc1 requires flatbuffers~=1.12.0, which is not installed.
tensorflow 2.5.0rc1 requires gast==0.4.0, which is not installed.
tensorflow 2.5.0rc1 requires google-pasta~=0.2, which is not installed.
tensorflow 2.5.0rc1 requires grpcio~=1.34.0, which is not installed.
tensorflow 2.5.0rc1 requires h5py~=3.1.0, which is not installed.
tensorflow 2.5.0rc1 requires keras-nightly~=2.5.0.dev, which is not installed.
tensorflow 2.5.0rc1 requires keras-preprocessing~=1.1.2, which is not installed.
tensorflow 2.5.0rc1 requires typing-extensions~=3.7.4, which is not installed.
dtw-python 1.1.10 requires scipy>=1.1, which is not installed.
tensorboard 2.4.1 requires absl-py>=0.4, which is not installed.
tensorboard 2.4.1 requires google-auth<2,>=1.6.3, which is not installed.
tensorboard 2.4.1 requires google-auth-oauthlib<0.5,>=0.4.1, which is not installed.
tensorboard 2.4.1 requires grpcio>=1.24.3, which is not installed.
tensorboard 2.4.1 requires markdown>=2.6.8, which is not installed.
tensorboard 2.4.1 requires requests<3,>=2.21.0, which is not installed.
tensorboard 2.4.1 requires tensorboard-plugin-wit>=1.6.0, which is not installed.
tensorboard 2.4.1 requires werkzeug>=0.11.15, which is not installed.
tensorflow 2.5.0rc1 requires numpy~=1.19.2, but you have numpy 1.21.2 which is incompatible.
tensorflow 2.5.0rc1 requires six~=1.15.0, but you have six 1.16.0 which is incompatible.
Successfully installed atomicwrites-1.4.0 attrs-21.2.0 cbfv-1.0.0 colorama-0.4.4 iniconfig-1.1.1 numpy-1.21.2 packaging-21.0 pandas-1.3.3 pluggy-1.0.0 py-1.10.0 pyparsing-2.4.7 pytest-6.2.5 python-dateutil-2.8.2 pytz-2021.3 six-1.16.0 toml-0.10.2 tqdm-4.62.3

(cbfv) C:\Users\sterg>python3
Python 3.9.7 (tags/v3.9.7:1016ef3, Aug 30 2021, 20:19:38) [MSC v.1929 64 bit (AMD64)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> import cbfv
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
ModuleNotFoundError: No module named 'cbfv'

[sgbaird]

@AndrewFalkowski

[sgbaird]

Took a look at setup.py. I see that the package is called CBFV. So import CBFV worked ok. Still needs usage instructions though. Not sure what to do with it. Tried a few things:

from CBFV import CBFV
from CBFV import cbfv
from CBFV import composition
from CBFV import parse_formula

Each one gives similar output:

>>> from CBFV import CBFV
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
ImportError: cannot import name 'CBFV' from 'CBFV' (C:\Users\sterg\anaconda3\envs\cbfv\lib\site-packages\CBFV\__init__.py)