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Bump version to 0.2.6 for PyPI release
- Update version in pyproject.toml - Update version in setup.py - Update version in navicat_marc/helpers.py This version includes fixes for SciPy deprecation issues.
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navicat_marc/helpers.py

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@@ -105,7 +105,7 @@ def molecules_from_file(filename, scale_factor=1.10, noh=True):
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def processargs(arguments):
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input_list = sys.argv
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input_str = " ".join(input_list)
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version_str = "0.2.5"
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version_str = "0.2.6"
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mbuilder = argparse.ArgumentParser(
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prog="navicat_marc",
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description="Analyse conformer ensembles to find the most representative structures.",

pyproject.toml

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@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
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[project]
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name = "navicat_marc"
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version = "0.2.5"
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version = "0.2.6"
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authors = [
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{ name="R. Laplaza", email="rlaplaza@duck.com" },
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]

setup.py

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@@ -12,7 +12,7 @@
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setup(
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name="marc",
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packages=["navicat_marc"],
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version="0.2.5",
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version="0.2.6",
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description="Modular Analysis of Representative Conformers",
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long_description=long_description,
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long_description_content_type="text/markdown",

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