diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml index 9446cdda..559d42f2 100644 --- a/.github/workflows/tests.yml +++ b/.github/workflows/tests.yml @@ -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 diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst index cf351f23..10c36131 100644 --- a/docs/source/changelog.rst +++ b/docs/source/changelog.rst @@ -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 diff --git a/exmol/data.py b/exmol/data.py index 9b45bf01..7af2535f 100644 --- a/exmol/data.py +++ b/exmol/data.py @@ -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 @@ -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 diff --git a/exmol/version.py b/exmol/version.py index e72968d7..ea0e5f86 100644 --- a/exmol/version.py +++ b/exmol/version.py @@ -1 +1 @@ -__version__ = "3.0.2" +__version__ = "3.0.3"