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Issue-137, import exmol not working with python 3.11 #138

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Jun 19, 2023
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2 changes: 1 addition & 1 deletion .github/workflows/tests.yml
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@ jobs:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: [3.8, 3.9, "3.10"]
python-version: [3.8, 3.9, "3.10", "3.11"]

steps:
- uses: actions/checkout@v2
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5 changes: 5 additions & 0 deletions docs/source/changelog.rst
Original file line number Diff line number Diff line change
@@ -1,6 +1,11 @@
Change Log
==========

v3.0.3 (2023-06-19)
-------------------
* Now compatible with python 3.11


v3.0.2 (2023-02-23)
-------------------
* Now try to find largest component with multiple compounds separated via `.` in SMILES
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4 changes: 2 additions & 2 deletions exmol/data.py
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
from dataclasses import dataclass, asdict
from dataclasses import dataclass, asdict, field
from typing import Optional
import numpy as np # type: ignore

Expand Down Expand Up @@ -34,7 +34,7 @@ class Example:
#: Index relative to other examples
index: int
#: PCA projected position from similarity
position: np.ndarray = np.array(None)
position: np.ndarray = field(default_factory=lambda: np.array(None))
#: True if base
is_origin: bool = False
#: Index of cluster, can be -1 for no cluster
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2 changes: 1 addition & 1 deletion exmol/version.py
Original file line number Diff line number Diff line change
@@ -1 +1 @@
__version__ = "3.0.2"
__version__ = "3.0.3"