From 262401516742f99c0edf861319de2ef97efef0c9 Mon Sep 17 00:00:00 2001 From: Jackson Burns <33505528+JacksonBurns@users.noreply.github.com> Date: Fri, 1 Mar 2024 14:07:16 -0500 Subject: [PATCH] bump patch version for leaner deps, add mention in readme --- README.md | 3 +++ astartes/__init__.py | 2 +- 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 35420e2..5a17bca 100644 --- a/README.md +++ b/README.md @@ -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. diff --git a/astartes/__init__.py b/astartes/__init__.py index a85fcc2..1512803 100644 --- a/astartes/__init__.py +++ b/astartes/__init__.py @@ -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