Skip to content

Commit

Permalink
bump patch version for leaner deps, add mention in readme
Browse files Browse the repository at this point in the history
  • Loading branch information
JacksonBurns committed Mar 1, 2024
1 parent f6aa85c commit 2624015
Show file tree
Hide file tree
Showing 2 changed files with 4 additions and 1 deletion.
3 changes: 3 additions & 0 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -58,6 +58,9 @@ We recommend installing `astartes` within a virtual environment, using either `v
To install `astartes` with support for featurizing molecules, use: `conda install -c conda-forge astartes aimsim`.
This will download the base `astartes` package as well as `aimsim`, which is the backend used for molecular featurization.

The PyPI distribution has fewer dependencies for the `molecules` subpackage because it uses `aimsim_core` instead of `aimsim`.
You can achieve this on `conda` by first running `conda install -c conda-forge astartes` and then `pip install aimsim_core` (`aimsim_core` is not available on `conda-forge`).

### Source
To install `astartes` from source for development, see the [Contributing & Developer Notes](#contributing--developer-notes) section.

Expand Down
2 changes: 1 addition & 1 deletion astartes/__init__.py
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
# convenience import to enable 'from astartes import train_test_split'
from .main import train_test_split, train_val_test_split

__version__ = "1.2.1"
__version__ = "1.2.2"

# DO NOT do this:
# from .molecules import train_test_split_molecules
Expand Down

0 comments on commit 2624015

Please sign in to comment.