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Support for Python 3.13 (aiidateam#6600)
* Update circus to 0.19.0 for py3.13 support * Update spglib in lock file to 2.6 for py3.13 support * Update disk-objectstore~=v1.3.0 due to open file descriptor error * Add `__iter__` function to DbSearchResults
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-39
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7 files changed

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.github/workflows/ci-code.yml

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@@ -26,7 +26,7 @@ jobs:
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strategy:
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fail-fast: false
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matrix:
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python-version: ['3.9', '3.12']
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python-version: ['3.9', '3.13']
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database-backend: [psql]
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include:
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- python-version: '3.9'

.github/workflows/test-install.yml

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@@ -111,7 +111,7 @@ jobs:
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fail-fast: false
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matrix:
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python-version: ['3.9', '3.10', '3.11', '3.12']
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python-version: ['3.9', '3.10', '3.11', '3.12', '3.13']
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# Not being able to install with conda on a specific Python version is
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# not sufficient to fail the run, but something we want to be aware of.

environment.yml

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@@ -9,10 +9,10 @@ dependencies:
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- alembic~=1.2
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- archive-path~=0.4.2
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- asyncssh~=2.19.0
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- circus~=0.18.0
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- circus~=0.19.0
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- click-spinner~=0.1.8
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- click~=8.1
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- disk-objectstore~=1.2
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- disk-objectstore~=1.3.0
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- docstring_parser
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- get-annotations~=0.1
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- python-graphviz~=0.19
@@ -37,4 +37,4 @@ dependencies:
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- typing-extensions~=4.0
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- upf_to_json~=0.9.2
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- wrapt~=1.11
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- chardet~=5.2.0 # [win]
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- chardet~=5.2.0 # [win]

pyproject.toml

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@@ -21,10 +21,10 @@ dependencies = [
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'alembic~=1.2',
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'archive-path~=0.4.2',
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"asyncssh~=2.19.0",
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'circus~=0.18.0',
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'circus~=0.19.0',
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'click-spinner~=0.1.8',
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'click~=8.1',
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'disk-objectstore~=1.2',
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'disk-objectstore~=1.3.0',
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'docstring-parser',
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'get-annotations~=0.1;python_version<"3.10"',
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'graphviz~=0.19',

src/aiida/tools/dbimporters/baseclasses.py

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@@ -96,6 +96,9 @@ def __init__(self, results, increment=1):
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self._position = 0
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self._increment = increment
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def __iter__(self):
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return self
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def __next__(self):
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"""Return the next entry in the iterator."""
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pos = self._position

tests/test_dbimporters.py

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@@ -121,6 +121,7 @@ def test_dbentry_creation(self):
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{'id': '2000000', 'svnrevision': '1234'},
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]
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)
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assert [res for res in iter(results)] == [results.at(0), results.at(1), results.at(2)]
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assert len(results) == 3
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assert results.at(1).source == {
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'db_name': 'Crystallography Open Database',

uv.lock

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