Releases | Open Source Science

pyiron_base - pyiron_base-0.14.1

What's Changed

Fix compatibility tests by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1878
Fix mybinder for hatchling by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1879
Remove pyironcontrib integration tests by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1881
Update integration tests: pyironatomistics now also hatchling by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1880
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/pyiron/pyiron_base/pull/1882
Bump pandas from 2.3.1 to 2.3.2 by @dependabot[bot] in https://github.com/pyiron/pyiron_base/pull/1884

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.14.0...pyiron_base-0.14.1

- Python
Published by jan-janssen 6 months ago

pyiron_base - pyiron_base-0.14.0

What's Changed

Update conda and condasubprocess by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1861
Add error handling for submitted Python functions by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1863
restrict all tests to five minutes by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1865
Set config in tests by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1864
Extend test parser by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1866
Extend coverage for database by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1867
Extend tests for Generic Parameters by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1870
Add tests for LogStatus by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1871
Extend tests for parameters again by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1872
Extend tests for hdfio by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1873
Add tests for pyironbase/state/publications.py by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1874
Test ParallelMaster by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1876
Test run functions by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1877
Extend tests for project class by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1875
Switch from versioneer to hatchling by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1862

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.13.5...pyiron_base-0.14.0

- Python
Published by jan-janssen 6 months ago

pyiron_base - pyiron_base-0.13.5

What's Changed

Define coverage in pyproject.toml by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1856
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/pyiron/pyiron_base/pull/1858
Bump sqlalchemy from 2.0.42 to 2.0.43 by @dependabot[bot] in https://github.com/pyiron/pyiron_base/pull/1859
Update numpy to 2.3.2 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1860

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.13.4...pyiron_base-0.13.5

- Python
Published by jan-janssen 6 months ago

pyiron_base - pyiron_base-0.13.4

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/pyiron/pyiron_base/pull/1847
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/pyiron/pyiron_base/pull/1849
Update sqlalchemy from 2.0.41 to 2.0.42 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1850
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/pyiron/pyiron_base/pull/1853
Bump gitpython from 3.1.44 to 3.1.45 by @dependabot[bot] in https://github.com/pyiron/pyiron_base/pull/1848
Bump executorlib from 1.6.0 to 1.6.1 by @dependabot[bot] in https://github.com/pyiron/pyiron_base/pull/1855
Bump pysqa from 0.2.7 to 0.3.0 by @dependabot[bot] in https://github.com/pyiron/pyiron_base/pull/1852

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.13.3...pyiron_base-0.13.4

- Python
Published by jan-janssen 7 months ago

pyiron_base - pyiron_base-0.13.3

What's Changed

Bump executorlib from 1.5.1 to 1.5.2 by @dependabot[bot] in https://github.com/pyiron/pyiron_base/pull/1843
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/pyiron/pyiron_base/pull/1844
Bump executorlib from 1.5.2 to 1.5.3 by @dependabot[bot] in https://github.com/pyiron/pyiron_base/pull/1845
Update executorlib to 1.6.0 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1846

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.13.2...pyiron_base-0.13.3

- Python
Published by jan-janssen 7 months ago

pyiron_base - pyiron_base-0.13.2

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1838
Bump pyfileindex from 0.0.37 to 0.0.38 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1840
Bump pysqa from 0.2.6 to 0.2.7 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1842
Bump h5io-browser from 0.1.12 to 0.1.13 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1841
Bump pandas from 2.3.0 to 2.3.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1839

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.13.1...pyiron_base-0.13.2

- Python
Published by jan-janssen 8 months ago

pyiron_base - pyiron_base-0.13.1

What's Changed

Add module conversion by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1825
Debug NFDI use case by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1831
Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1832
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1827
Bump h5io-browser from 0.1.11 to 0.1.12 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1828
Bump executorlib from 1.4.0 to 1.5.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1830
Update ADIS environment by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1836
merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1837
Test latest version of Quantum ESPRESSO by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1835

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.13.0...pyiron_base-0.13.1

- Python
Published by jan-janssen 8 months ago

pyiron_base - pyiron_base-0.13.0

What's Changed

Move backwards tests to separate test directory by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1820
Remove jedi by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1821
Remove update script by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1822
Move maintenance to separate module by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1823
Add LocalMaintenance and Maintenance in central init by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1824

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.12.1...pyiron_base-0.13.0

- Python
Published by jan-janssen 9 months ago

pyiron_base - pyiron_base-0.12.1

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1800
Bump sqlalchemy from 2.0.40 to 2.0.41 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1801
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1802
Fix docstring in project load by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1803
Update pyfileindex to 0.0.36 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1804
Provide access to job object of delayed object by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1805
Bump pysqa from 0.2.4 to 0.2.5 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1809
Bump executorlib from 1.2.0 to 1.2.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1808
Bump conda-subprocess from 0.0.7 to 0.0.8 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1807
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1810
Bump executorlib from 1.2.1 to 1.4.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1811
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1812
Add test for flexible master by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1813
Add test for jobwrapper by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1814
add test for parser by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1815
extend worker test by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1816
Test external interface by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1817
Bump pandas from 2.2.3 to 2.3.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1819

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.12.0...pyiron_base-0.12.1

- Python
Published by jan-janssen 9 months ago

pyiron_base - pyiron_base-0.12.0

What's Changed

Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1779
Update condasubprocess to 0.0.7 and conda to 25.3.1 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1799
Test with python 3.13 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1777

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.13...pyiron_base-0.12.0

- Python
Published by jan-janssen 10 months ago

pyiron_base - pyiron_base-0.11.13

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1795
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1796
[pre-commit.ci] pre-commit autoupdate (#1796) by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1798
Update executorlib to 1.2.0 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1797

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.12...pyiron_base-0.11.13

- Python
Published by jan-janssen 10 months ago

pyiron_base - pyiron_base-0.11.12

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1793
Bump executorlib from 1.0.1 to 1.1.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1794

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.11...pyiron_base-0.11.12

- Python
Published by jan-janssen 10 months ago

pyiron_base - pyiron_base-0.11.11

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1791
Update h5io-browser to 0.1.10 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1790

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.10...pyiron_base-0.11.11

- Python
Published by jan-janssen 10 months ago

pyiron_base - pyiron_base-0.11.10

What's Changed

Bump executorlib from 1.0.0 to 1.0.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1787
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1788
Delayed Objects: Add input property by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1789

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.9...pyiron_base-0.11.10

- Python
Published by jan-janssen 11 months ago

pyiron_base - pyiron_base-0.11.9

What's Changed

Update conda to 25.1.1 and condasubprocess to 0.0.6 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1778
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1780
Bump numpy from 2.2.3 to 2.2.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1776
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1781
Use snippets logger since JobCore does not have a logger attr by @pmrv in https://github.com/pyiron/pyiron_base/pull/1782
Bump sqlalchemy from 2.0.39 to 2.0.40 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1783
Bump executorlib from 0.4.2 to 0.4.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1784
Store compress by default in HDF5 file by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1786
Bump executorlib from 0.4.3 to 1.0.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1785

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.8...pyiron_base-0.11.9

- Python
Published by jan-janssen 11 months ago

pyiron_base - pyiron_base-0.11.8

What's Changed

Bump pysqa from 0.2.3 to 0.2.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1773
Bump jinja2 from 3.1.5 to 3.1.6 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1772
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1774
Bump sqlalchemy from 2.0.38 to 2.0.39 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1775

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.7...pyiron_base-0.11.8

- Python
Published by jan-janssen 12 months ago

pyiron_base - pyiron_base-0.11.7

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1769
Bump monty from 2025.1.9 to 2025.3.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1770
Bump executorlib from 0.4.1 to 0.4.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1771

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.6...pyiron_base-0.11.7

- Python
Published by jan-janssen 12 months ago

pyiron_base - pyiron_base-0.11.6

What's Changed

Bump executorlib from 0.4.0 to 0.4.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1767
Fix copyto and moveto by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1744
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1768
Bump psutil from 6.1.1 to 7.0.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1756
Remove ViewerUser / viewermode by @niklassiemer in https://github.com/pyiron/pyironbase/pull/1447

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.5...pyiron_base-0.11.6

- Python
Published by jan-janssen 12 months ago

pyiron_base - pyiron_base-0.11.5

What's Changed

Bump h5py from 3.12.1 to 3.13.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1766

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.4...pyiron_base-0.11.5

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base-0.11.4

What's Changed

[Bug]: Fix murnaghan job on queue by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1764

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.3...pyiron_base-0.11.4

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base-0.11.3

What's Changed

Update permissions for dependabot by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1760
Bump executorlib from 0.2.1 to 0.4.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1761
Github Action Push with repository permissions does not trigger continuous integration by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1762
[bug]: Fix database issue by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1763

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.2...pyiron_base-0.11.3

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base-0.11.2

What's Changed

Bump sqlalchemy from 2.0.37 to 2.0.38 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1749
Update continuous integration environment by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1750
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1751
Switch to codecov by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1752
Bump executorlib from 0.1.0 to 0.2.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1753
Preserve resource order when loading queue config by @pmrv in https://github.com/pyiron/pyiron_base/pull/1754
fix pip check for optional dependencies by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1759
Bump executorlib from 0.2.0 to 0.2.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1757
Only escape strings in SQL queries when % is issued by us by @pmrv in https://github.com/pyiron/pyiron_base/pull/1755
Bump numpy from 2.2.2 to 2.2.3, h5iobrowser from 0.1.6 to 0.1.7 and pyfileindex from 0.0.33 to 0.0.34 by @dependabot in https://github.com/pyiron/pyironbase/pull/1758

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.1...pyiron_base-0.11.2

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base-0.11.1

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1739
Bump pyfileindex from 0.0.32 to 0.0.33 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1741
Bump numpy from 2.2.1 to 2.2.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1738
Bump monty from 2024.12.10 to 2025.1.9 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1727
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1743
Bump executorlib from 0.0.8 to 0.0.10 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1745
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1747
Bump executorlib from 0.0.10 to 0.1.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1748
Remove commented out code by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1746

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.11.0...pyiron_base-0.11.1

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base-0.11.0

What's Changed

Update conda to 24.7.1 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1722
Remove Prefix from CI by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1724
Bump sqlalchemy from 2.0.36 to 2.0.37 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1726
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1730
[major] Bump tables from 3.10.1 to 3.10.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1716
Fix read the docs by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1731
Read the docs OS update by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1732
[patch] Remove getitemssql from DatabaseAccess by @pmrv in https://github.com/pyiron/pyiron_base/pull/1734
Change username during copy by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1728
Bump executorlib from 0.0.7 to 0.0.8 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1736
Bump cloudpickle from 3.1.0 to 3.1.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1733
delayed: handling of lists as result by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1737
[patch] Escape database queries by @pmrv in https://github.com/pyiron/pyiron_base/pull/1735

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.11...pyiron_base-0.11.0

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base-0.10.11

What's Changed

Bump executorlib from 0.0.5 to 0.0.6 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1711
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1712
Bump executorlib from 0.0.6 to 0.0.7 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1713
Bump gitpython from 3.1.43 to 3.1.44 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1714
Bump psutil from 6.1.0 to 6.1.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1708
Bump pysqa from 0.2.2 to 0.2.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1715
Bump jinja2 from 3.1.4 to 3.1.5 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1710
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1718
Bump pyfileindex from 0.0.31 to 0.0.32 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1720
Bump numpy from 1.26.4 to 2.2.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1709

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.10...pyiron_base-0.10.11

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base-0.10.10

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1703
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1705
Bump monty from 2024.10.21 to 2024.12.10 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1706
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1707

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.9...pyiron_base-0.10.10

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base-0.10.9

What's Changed

Bump tqdm from 4.67.0 to 4.67.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1700
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1701
Delayed object: store the python function as part of the delayed object by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1698
Fix: Setting Queue ID for remote submission by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1702

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.8...pyiron_base-0.10.9

- Python
Published by jan-janssen about 1 year ago

pyiron_base - pyiron_base 0.10.8

What's Changed

Bump pysqa from 0.2.1 to 0.2.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1694
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1695
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1696
Update executorlib to 0.0.5 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1697

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.7...pyiron_base-0.10.8

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.10.7

What's Changed

Bump pysqa from 0.2.0 to 0.2.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1689
Bump pyfileindex from 0.0.30 to 0.0.31 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1688
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1691
Bump tqdm from 4.66.6 to 4.67.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1692
Bump pint from 0.24.3 to 0.24.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1693

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.6...pyiron_base-0.10.7

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.10.6

What's Changed

decorator: Set list length only at function call by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1677
Extend Server class by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1679
Bump psutil from 6.0.0 to 6.1.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1671
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1681
Bump tqdm from 4.66.5 to 4.66.6 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1682
Use properties for filestoremove/compress in JobCore.compress by @pmrv in https://github.com/pyiron/pyiron_base/pull/1680
Rename decorator from @pyironjob to @job by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1686
Decorator: initialise with project in local directory by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1687

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.5...pyiron_base-0.10.6

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.10.5

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1672
Always write status to HDF5 file by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1676
Bump monty from 2024.7.30 to 2024.10.21 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1673
Debug decorator - fix delayed output for python functions by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1674

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.4...pyiron_base-0.10.5

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base-0.10.4

What's Changed

Bump sqlalchemy from 2.0.35 to 2.0.36 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1669
Bump h5io-browser from 0.1.3 to 0.1.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1670
Bump h5py from 3.11.0 to 3.12.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1650

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.3...pyiron_base-0.10.4

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.10.3

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1648
Update pysqa to 0.2.0 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1651
Update Github Action link on README by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1652
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1653
Do not trip on empty files by @pmrv in https://github.com/pyiron/pyiron_base/pull/1655
Bump executorlib from 0.0.2 to 0.0.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1656
Switch to pyirondataclasses module by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1657
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1659
Remove default conda channel by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1661
Update by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1662
Bump numpy from 2.1.1 to 2.1.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1658
Execute NFDI4Ing with ubuntu 22.04 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1665
Add draw() function to delayed object by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1664
Add server object to delayed execution by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1660
Fix support for functions without arguments by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1663
Bump cloudpickle from 3.0.0 to 3.1.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1668
Implement decorators in pyiron_base by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1667

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.2...pyiron_base-0.10.3

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.10.2

What's Changed

Add Docstrings and type hints with Github Co-pilot by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1640
Add more docstrings and type hints by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1641
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1642
Always use absolute path for restart files by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1639
Bump conda-subprocess from 0.0.4 to 0.0.5 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1644
Files: Fix windows compatibility by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1643
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1645
Bump sqlalchemy from 2.0.34 to 2.0.35 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1646
Update pandas and related dependencies by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1647

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.1...pyiron_base-0.10.2

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.10.1

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1609
Catch all exception in pyiron table by @pmrv in https://github.com/pyiron/pyiron_base/pull/1610
Fix project mv by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1615
Fix windows paths by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1616
Get executable keys from dataclass fields by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1619
Backwards compatible loading of server/executable by @pmrv in https://github.com/pyiron/pyiron_base/pull/1611
[patch] Add pack backwards compatibility tests by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1617
Bump executorlib from 0.0.1 to 0.0.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1622
Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1623
Revert changes to DataContainer storage format by @pmrv in https://github.com/pyiron/pyiron_base/pull/1620
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1627
Remove conda default channel by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1628
Only reset the job status for failed interactive jobs by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1631
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1634
Bump sqlalchemy from 2.0.32 to 2.0.33 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1636
Update integration tests and a new one for notebooks by @pmrv in https://github.com/pyiron/pyiron_base/pull/1637
Remove automatic recursive todict/fromdict again by @pmrv in https://github.com/pyiron/pyiron_base/pull/1632
Inspect csv file without uncompressing .tar.gz by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1629
Bump sqlalchemy from 2.0.33 to 2.0.34 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1638
Bump numpy from 2.1.0 to 2.1.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1635

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.10.0...pyiron_base-0.10.1

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.10.0

What's Changed

Update pack and unpack methods by @srmnitc in https://github.com/pyiron/pyiron_base/pull/886
[patch] Use tempfile instead of creating a directory by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1555
Revert "[patch] Use tempfile instead of creating a directory" by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1556
[patch] Add warning when the same job is imported multiple times with unpack by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1596
[patch] Unify copy_to and move_to by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1598
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1597
[patch] Append tag when patch, minor or major is added by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1599
[patch] Restructure archive by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1595
[patch] Not create tmp file when copying everything by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1589
[patch] Use tempfile instead of creating a directory by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1558
[patch] Use tempfile to open compressed data by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1601
Executable Dataclass by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1580
Server Dataclass by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1578
[minor] Update pack and unpack methods by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1440
Bump tables from 3.9.2 to 3.10.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1603
Bump h5io-browser from 0.0.17 to 0.0.18 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1606
Interactive: Set status to aborted when job failed by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1604
[minor] Recursive to/fromdict by @pmrv in https://github.com/pyiron/pyironbase/pull/1602
Update h5iobrowser to 0.1.0 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1608
Add two classes for HasHDF/HasDict compat by @pmrv in https://github.com/pyiron/pyiron_base/pull/1364
Update pyfileindex to 0.0.27 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1607
Bump numpy from 2.0.1 to 2.1.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1605

New Contributors

@srmnitc made their first contribution in https://github.com/pyiron/pyiron_base/pull/886

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.12...pyiron_base-0.10.0

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base-0.9.12

What's Changed

Remove empty executable test by @pmrv in https://github.com/pyiron/pyiron_base/pull/1577
Use tempfile by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1570
Remove sendtodb by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1579
Add docstring to import jobs by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1583
Bump tqdm from 4.66.4 to 4.66.5 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1584
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1587
Bump sqlalchemy from 2.0.31 to 2.0.32 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1588
Allow undefined pack destination by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1581
Only create tempdir when compress=True by @samwaseda in https://github.com/pyiron/pyironbase/pull/1582
No copy directory by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1585
Bump pyiron-snippets from 0.1.3 to 0.1.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1591
not use relpath by default by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1590
Rewrite tests for pack by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1593

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.11...pyiron_base-0.9.12

- Python
Published by niklassiemer over 1 year ago

pyiron_base - pyiron_base-0.9.11

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1547
Enable Python 3.9 tests again by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1548
Use copytree in pack by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1549
Restore sub directories by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1551
Refactor and add doc string (done by ChatGPT) by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1550
Update pyfileindex to 0.0.26 and h5iobrowser to 0.0.17 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1554
Change wrap function status when job starts running by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1560
Add a series of docstrings and type hints with github co-pilot by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1561
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1564
Fix nfdi usecase tests failing by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1566
Bump monty from 2024.7.12 to 2024.7.30 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1565
Add underscore to separate job name by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1567
Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1569
Debug failing minimal tests by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1575
Add deprecate warnings when indexing jobs directly by @pmrv in https://github.com/pyiron/pyiron_base/pull/1562
Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1576
Set job.status.running again by @pmrv in https://github.com/pyiron/pyiron_base/pull/1573
delete extraction function because it became very short and give an e… by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1571
Always write input files by @pmrv in https://github.com/pyiron/pyiron_base/pull/1574

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.10...pyiron_base-0.9.11

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base-0.9.10

What's Changed

Bump pyiron-snippets from 0.1.2 to 0.1.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1536
Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1545
[patch] Remove redundant conversion of project name by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1543
[patch] Refactor compress dir by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1544
Use resolver classes from pyironsnippets by @pmrv in https://github.com/pyiron/pyironbase/pull/1528

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.9...pyiron_base-0.9.10

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.9

What's Changed

Bugfix: Interactive calculation array comparison by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1542

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.8...pyiron_base-0.9.9

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.8

What's Changed

Add optional dependencies: gitpython, jinja2 and pint by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1537
Fix install dependencies by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1538
Fix multi dimensional arrays with FlattenedStorage.topandas by @pmrv in https://github.com/pyiron/pyironbase/pull/1335
Remove Codacy by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1540
Update h5iobrowser to 0.0.16 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1541

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.7...pyiron_base-0.9.8

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.7

What's Changed

Update conda-incubator/setup-miniconda from v2 to v3 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1517
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1519
Refactor tests by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1520
Add usecases to the tests by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1521
NFDI use case: Remove plotting the graph by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1522
Update conda to 24.5.0 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1524
ADIS usecase - update notebook by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1525
Update NFDI4Ing usecase update by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1526
Update usecases to Python 3.12 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1527
Bump pint from 0.24.1 to 0.24.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1532
Bump monty from 2024.5.24 to 2024.7.12 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1530
Bump pympipool from 0.8.5 to 0.9.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1531
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1534
wrapexecutable(): no longer require jobname - enable automatic renaming by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1529

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.6...pyiron_base-0.9.7

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.6

What's Changed

Update dependabot.yml by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1501
Bump conda-subprocess from 0.0.2 to 0.0.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1502
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1504
TemplateJob: Implement todict() and fromdict() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1507
wrappythonfunction(): Allow calling the function directly by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1506
Add import sorting to ruff by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1512
ExecutableContainerJob: Fix copying of restart files by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1509
PythonFunctionContainerJob: Skip the run() call for jobs which were reloaded during save() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1514
Delayed execution in pyironbase - for wrappythonfunction() and wrapexecutable() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1508
Add writeinput() before transferring files to remote by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1511
Executable: drop old code argument by @pmrv in https://github.com/pyiron/pyiron_base/pull/1513
Rename the result() call to pull() - for consistency with pyironworkflow by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1515

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.5...pyiron_base-0.9.6

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.5

What's Changed

Bump conda-subprocess from 0.0.1 to 0.0.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1495
Pint 0.24.1 adds Python 3.9 support by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1497
Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1498
Bump psutil from 5.9.8 to 6.0.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1494
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1496
Update Pympipool to 0.8.5 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1500
Update pysqa to 0.1.21 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1499

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.4...pyiron_base-0.9.5

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.4

What's Changed

calculate() function: Fix backwards compatibility by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1492
Add convergencecheck() to calculate function by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1493

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.3...pyiron_base-0.9.4

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.3

What's Changed

Update h5iobrowser to 0.0.15 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1488
Sqlalchemy update to 2.0.31 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1489
Update pyironsnippets to 0.1.2 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1490
Update pyfileindex to 0.0.25 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1491

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.2...pyiron_base-0.9.3

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.2

What's Changed

Remove job.calculatesuccessor() and job..calculatepredecessor() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1473
Reorder return values from handlefailedjob by @pmrv in https://github.com/pyiron/pyiron_base/pull/1474
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1475
Add getinputfiledict() in GenericJob by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1472
Add raiseruntimeerrorforfailedjob() function by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1478
Separate executesubprocess() function by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1476
Bump pint from 0.23 to 0.24 - requires Python >=3.10 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1471
ScriptJob: Replace writeinput() with getinputfiledict() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1479
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1482
Fix mybinder environment by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1486
Scriptjob implement calculate() function by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1480
Executable: Set environment variables for subprocess by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1485
[patch] restore forbidding duplicate imports by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1453
Docs: Add explanation about pyiron environment variables by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1487
Introduce calculate() function by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1477

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.1...pyiron_base-0.9.2

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.1

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1467
Fix typo in HDF5Content recursive loading by @pmrv in https://github.com/pyiron/pyiron_base/pull/1468
Unlock when calling fromhdf for DataContainer by @raynol-dsouza in https://github.com/pyiron/pyironbase/pull/1416
HDF5 interface: Convert h5io datatypes to nodes by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1469
Update the h5io interface by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1470

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.9.0...pyiron_base-0.9.1

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.9.0

What's Changed

Update just the deloy action by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1430
add ruff linter by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1432
Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1436
Add doc by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1435
Bump monty from 2024.4.17 to 2024.5.15 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1439
Force user to use bool for delete_existing_job by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1437
Bump pympipool from 0.8.2 to 0.8.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1438
Combine import export example notebooks by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1443
Fixes for the pack() and unpack() method by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1401
project move for cli by @XzzX in https://github.com/pyiron/pyiron_base/pull/1442
copy function for cli by @XzzX in https://github.com/pyiron/pyiron_base/pull/1441
Replace copytree from distutils by copytree from shutil because dist… by @samwaseda in https://github.com/pyiron/pyironbase/pull/1448
Bump monty from 2024.5.15 to 2024.5.24 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1450
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/pyiron/pyiron_base/pull/1451
[minor] update docstring for TemplateJob by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1452
[minor] refactor super minor things by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1449
[patch] Use Singleton from pyironsnippets by @liamhuber in https://github.com/pyiron/pyironbase/pull/1454
Bump pympipool from 0.8.3 to 0.8.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1459
[minor] Add to_hdf to the example in doc by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1461
Fix stacked pull requests by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1463
[minor] Add docstring in template job by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1464
[minor] remove the backwards compatibility redirects by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1466
[patch] Use ImportAlarm from pyironsnippets by @liamhuber in https://github.com/pyiron/pyironbase/pull/1455
[patch] replace logger with snippets version by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1465
Bump pyiron-snippets from 0.1.0 to 0.1.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1460
[patch] use retry from pyironsnippets by @liamhuber in https://github.com/pyiron/pyironbase/pull/1456
[patch] use deprecate from pyironsnippets by @liamhuber in https://github.com/pyiron/pyironbase/pull/1457

New Contributors

@pre-commit-ci made their first contribution in https://github.com/pyiron/pyiron_base/pull/1451

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.8.4...pyiron_base-0.9.0

- Python
Published by jan-janssen over 1 year ago

pyiron_base - pyiron_base 0.8.4

What's Changed

Switch from Sphinx to Jupyterbook by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1420
Fix readme in project toml by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1421
Add documentation links in README by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1422
Bump sqlalchemy from 2.0.29 to 2.0.30 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1425
Add Edit button to documentation by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1426
Fix mybinder by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1428
Bump tqdm from 4.66.2 to 4.66.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1424
Bump jinja2 from 3.1.3 to 3.1.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1423

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.8.3...pyiron_base-0.8.4

- Python
Published by jan-janssen almost 2 years ago

pyiron_base - pyiron_base 0.8.3

What's Changed

Update pympipool to 0.8.0 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1412
Bump pysqa from 0.1.18 to 0.1.19 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1413
Bump traitlets from 5.14.2 to 5.14.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1415
Bump monty from 2024.3.31 to 2024.4.17 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1414
Bump pympipool from 0.8.0 to 0.8.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1418
Modify GenericError to use the workingdirectory rather than the job by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1417

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.8.2...pyiron_base-0.8.3

- Python
Published by jan-janssen almost 2 years ago

pyiron_base - pyiron_base 0.8.2

What's Changed

Update Notebooks to Python 3.12 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1408
Set upper limit for Python version by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1409
Bump h5py from 3.10.0 to 3.11.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1410
Use ensurestrarraysize in FlattenedStorage.extend by @pmrv in https://github.com/pyiron/pyiron_base/pull/1411
GenericJob: extend the compress() function by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1400

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.8.1...pyiron_base-0.8.2

- Python
Published by jan-janssen almost 2 years ago

pyiron_base - pyiron_base 0.8.1

What's Changed

GenericJob: Fix restart file list by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1399
Extend conda interface: store conda environments in project by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1372
Bump monty from 2024.2.26 to 2024.3.31 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1403
Bump gitpython from 3.1.42 to 3.1.43 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1404
Update pandas to 2.2.2 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1406

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.8.0...pyiron_base-0.8.1

- Python
Published by jan-janssen almost 2 years ago

pyiron_base - pyiron_base 0.8.0

What's Changed

Database: Extend jobname and projectpath to 255 characters by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1396
Datamining: Use todict() and fromdict() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1379
ExecutableContainerJob: store command line output in job.output by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1373
Executable: Switch from HasHDF to HasDict by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1377
PythonFunctionContainerJob and ExecutableContainerJob: Use todict() and fromdict() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1378
job.server: remove tohdf() and fromhdf() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1380
ScriptJob: from tohdf() and fromhdf() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1381

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.12...pyiron_base-0.8.0

- Python
Published by jan-janssen almost 2 years ago

pyiron_base - pyiron_base 0.7.12

What's Changed

pyiron table: Change default executor to "pympipool.mpi.executor.PyMPIExecutor" by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1369
Switch to use conda as default by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1370
Bump traitlets from 5.14.1 to 5.14.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1385
pyiron table: Use with-statement for executor by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1384
raise exception on failed delete from database by @XzzX in https://github.com/pyiron/pyiron_base/pull/1375
warn if job could not be deleted by @XzzX in https://github.com/pyiron/pyiron_base/pull/1376
Mac Os - pympipool: Use localhost for connection rather than the network address by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1390
Bump sqlalchemy from 2.0.28 to 2.0.29 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1395
Files: first check working directory then archive by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1394
Move recursive loading of DataContainer to HDF5Content by @pmrv in https://github.com/pyiron/pyiron_base/pull/1391
File: no longer derive from string by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1397
Misc FileBrowser features by @pmrv in https://github.com/pyiron/pyiron_base/pull/1392

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.11...pyiron_base-0.7.12

- Python
Published by jan-janssen almost 2 years ago

pyiron_base - pyiron_base 0.7.11

What's Changed

merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1342
Add Lockable to FlattenedStorage by @pmrv in https://github.com/pyiron/pyiron_base/pull/1365
Bump monty from 2024.2.2 to 2024.2.26 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1366
[patch] Introduce a flag for not mangling the name of wrapped function jobs by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1356
[minor] Opt in hash for pythonfunction by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1358
Bump sqlalchemy from 2.0.27 to 2.0.28 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1368
add wrapexecutable() function to project by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1312

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.10...pyiron_base-0.7.11

- Python
Published by jan-janssen almost 2 years ago

pyiron_base - pyiron_base 0.7.10

What's Changed

Move getjob{,ids} to IsDatabase by @pmrv in https://github.com/pyiron/pyiron_base/pull/1350
Use keyword args for Dataframe.tohdf by @pmrv in https://github.com/pyiron/pyironbase/pull/1355
Split DataContainer to a HDF and non HDF part by @pmrv in https://github.com/pyiron/pyiron_base/pull/1299
Fix the project type when the project is reloaded by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1352
Bump pympipool from 0.7.13 to 0.7.15 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1359
Bump pysqa from 0.1.15 to 0.1.16 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1360
Bump pandas from 2.2.0 to 2.2.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1361

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.9...pyiron_base-0.7.10

- Python
Published by jan-janssen almost 2 years ago

pyiron_base - pyiron_base 0.7.9

What's Changed

Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1169
Fix test timeout to 5 minutes by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1340
Use the same executor for pyiron table and function container by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1334
Bump sqlalchemy from 2.0.26 to 2.0.27 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1345
Bump gitpython from 3.1.41 to 3.1.42 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1344
Catch signal of aborted job in job wrapper by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1341
Try to access files after HDF by @pmrv in https://github.com/pyiron/pyiron_base/pull/1343
Purge SerialMaster by @pmrv in https://github.com/pyiron/pyiron_base/pull/1262

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.8...pyiron_base-0.7.9

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.8

What's Changed

Test old monty version by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1330
getjobs() filter for columns directly by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1325
Refactor database interface by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1331
Refactor database interface by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1332
remove unnecessary database queries by @XzzX in https://github.com/pyiron/pyiron_base/pull/1324
Fix regression on #1188 by @pmrv in https://github.com/pyiron/pyiron_base/pull/1336
Clean traceback when trying to import a moved module by @pmrv in https://github.com/pyiron/pyiron_base/pull/1333
Do not fail hdf type update if project data missing by @pmrv in https://github.com/pyiron/pyiron_base/pull/1337
Update h5iobrowser to 0.0.9 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1338

New Contributors

@XzzX made their first contribution in https://github.com/pyiron/pyiron_base/pull/1324

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.7...pyiron_base-0.7.8

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.7

What's Changed

Replace job.listfiles() with job.files.list() by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1328
job.files: raise FileNotFoundError rather than AttributeError or KeyError by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1329
Add test for removejob and remove additional query for jobid by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1327

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.6...pyiron_base-0.7.7

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.6

What's Changed

Accelerate removing of jobs by removing consistency check by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1326
Include files outside the archive in job.files.list() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1323

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.5...pyiron_base-0.7.6

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.5

What's Changed

Bump tqdm from 4.66.1 to 4.66.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1319
Bump sqlalchemy from 2.0.25 to 2.0.26 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1320
Add core.* files to .gitignore by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1318
Add more tests for job.files.list() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1322
Bump numpy from 1.26.3 to 1.26.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1321

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.4...pyiron_base-0.7.5

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.4

What's Changed

Update pysqa to 0.1.13 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1310
Do not import sqlalchemy when running without database by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1313
Accelerate import of pyironbase by 18% by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1309
Do not import pint when it is not needed by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1314
Update pysqa to 0.1.14 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1316
Add output files class by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1311
Execute jobs in separate conda environments by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1315

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.3...pyiron_base-0.7.4

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.3

What's Changed

Update pysqa 0.1.12 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1307
Use the deletefileonremote option in transferfiletoremote() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1305
Handle executable not found errors by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1306
No longer require functions for createjobfactory() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1308

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.2...pyiron_base-0.7.3

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.2

What's Changed

Test with Python 3.12 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1294
Officially add Python 3.12 support by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1295
Update Documentation by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1297
Change docs design by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1298
Fix reloading of executables for flexible jobs by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1300
Fix waitforjob() when for jobs with executors by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1301
Patch ExecutableContainerJob example by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1302
Job class creator can be static by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1303
Fix readdictfromhdf() when using overlapping paths by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1304

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.1...pyiron_base-0.7.2

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.1

What's Changed

[feedback wanted] Use regex for job table sorting by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1276
Update psutil to 5.9.8 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1291
Bump pandas from 2.1.4 to 2.2.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1292

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.7.0...pyiron_base-0.7.1

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.7.0

What's Changed

fix coverage by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1288
Update jinja2, pysqa and gitpython by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1290
Project: Add getstate() and setstate() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1289
Remove dynamic jobs by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1287
Simplify submitting functions to the queue by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1285
Implement ExecutableJobContainer by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1286

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.22...pyiron_base-0.7.0

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.22

What's Changed

Delete .github/delete-merged-branch-config.yml by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1283
Enforce environment for subprocess by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1284

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.21...pyiron_base-0.6.22

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.21

What's Changed

Update traitlets to 5.14.1 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1281
Update h5iobrowser to 0.0.6 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1282

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.20...pyiron_base-0.6.21

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.20

What's Changed

Update numpy to 1.26.3 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1280

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.19...pyiron_base-0.6.20

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.19

What's Changed

Update sqlalchemy to 2.0.25 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1278
Update h5io to 0.0.4 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1279

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.18...pyiron_base-0.6.19

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.18

What's Changed

Update pysqa to 0.1.9 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1274
no longer depend on h5io by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1275
Update h5iobrowser to 0.0.3 by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1277

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.17...pyiron_base-0.6.18

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.17

What's Changed

Storage: readdictfromhdf() add recursive parameter by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1268
Fix compatibility with atomistics by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1269
Bump sqlalchemy from 2.0.23 to 2.0.24 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1270
Use h5iobrowser package by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1271
Use readhdf() and writehdf() from h5iobrowser by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1273
Avoid repetitions in jobtable by @samwaseda in https://github.com/pyiron/pyironbase/pull/1272

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.16...pyiron_base-0.6.17

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.16

What's Changed

HDF interface: fix readdictfromhdf() by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1267
Revert "DataContainer: split tohdf() " by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1266

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.15...pyiron_base-0.6.16

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.15

What's Changed

Fix dill in dependencies by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1257
GenericJob: add todict() and fromdict() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1250
HDF5 interface: add writedicttohdf() and readdictfromhdf() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1247
HasHDF: Add storetypetodict() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1260
DataContainer: split tohdf() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1261
GenericParameters: add todict() and fromdict() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1249
Add tests for HDF5 helper functions by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1265
FileHDFio: Add writedicttohdf() and readdictfromhdf() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1263

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.14...pyiron_base-0.6.15

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.14

What's Changed

Add an interface to turn objects read-only by @pmrv in https://github.com/pyiron/pyiron_base/pull/1162
Simplify the datacontainer clean up during tohdf() by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1252
server: add todict() and fromdict() method by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1248
Switch from dill to cloudpickle by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1164

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.13...pyiron_base-0.6.14

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.13

What's Changed

Bump pint from 0.22 to 0.23 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1245
Bump pysqa from 0.1.7 to 0.1.8 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1254
Bump pyfileindex from 0.0.18 to 0.0.19 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1255
Bump pandas from 2.1.3 to 2.1.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1246
Bump psutil from 5.9.5 to 5.9.7 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1256

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.12...pyiron_base-0.6.13

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.12

What's Changed

Bump traitlets from 5.13.0 to 5.14.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1241
Bump tables from 3.9.1 to 3.9.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1240
Remove blosc2 dependency as it is now included in pytables by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1242
Use proper monotonic clock for benchmark by @pmrv in https://github.com/pyiron/pyiron_base/pull/1235
Add maintenance function to update TYPE in HDF5 files by @pmrv in https://github.com/pyiron/pyiron_base/pull/1243

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.11...pyiron_base-0.6.12

- Python
Published by pmrv about 2 years ago

pyiron_base - pyiron_base 0.6.11

What's Changed

Lower bound for tqdm by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1238
Fix dependabot by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1237
pyproject sync pypi and conda by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1239

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.10...pyiron_base-0.6.11

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.10

What's Changed

Fix iterjobs() without database by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1222
Use sphinx-rtd-theme by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1229
Bump numpy from 1.26.0 to 1.26.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1224
Update pyfileindex to 0.0.18 and pysqa to 0.1.7 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1232
Add a dummy ProjectHDFio class for generic todict() by @pmrv in https://github.com/pyiron/pyironbase/pull/1178
Switch to pyproject.toml by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1236

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.9...pyiron_base-0.6.10

- Python
Published by jan-janssen about 2 years ago

pyiron_base - pyiron_base 0.6.9

What's Changed

Bump gitpython from 3.1.37 to 3.1.40 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1216
Bump traitlets from 5.11.2 to 5.12.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1217
Bump pandas from 2.1.1 to 2.1.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1218
Bump traitlets from 5.12.0 to 5.13.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1219
Bump sqlalchemy from 2.0.22 to 2.0.23 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1220
Bump pandas from 2.1.2 to 2.1.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1223
Update pyfileindex to 0.0.13 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1226
Update pysqa to 0.1.4 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1227
Use trusted publisher action by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1225

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.8...pyiron_base-0.6.9

- Python
Published by jan-janssen over 2 years ago

pyiron_base - pyiron_base 0.6.8

What's Changed

Bump pyfileindex from 0.0.11 to 0.0.12 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1206
Bump traitlets from 5.10.1 to 5.11.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1204
Bump tables from 3.8.0 to 3.9.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1205
FlattenedStorage: Allow export to pandas dataframes by @pmrv in https://github.com/pyiron/pyiron_base/pull/1207
Move git import inside the function by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1203
Bump sqlalchemy from 2.0.21 to 2.0.22 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1211
Bump h5py from 3.9.0 to 3.10.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1212

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.7...pyiron_base-0.6.8

- Python
Published by jan-janssen over 2 years ago

pyiron_base - pyiron_base 0.6.7

What's Changed

Bump pandas from 2.1.0 to 2.1.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1194
Bump sqlalchemy from 2.0.20 to 2.0.21 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1195
Bump gitpython from 3.1.36 to 3.1.37 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1196
Bump traitlets from 5.10.0 to 5.10.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1197
versioneer update to 0.29 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1198
merge master by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1202
pysqa update to 0.1.3 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1199
Bump numpy from 1.24.3 to 1.26.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1192

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.6...pyiron_base-0.6.7

- Python
Published by jan-janssen over 2 years ago

pyiron_base - pyiron_base-0.6.5

What's Changed

Update pysqa to 0.1.1 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1181
Bump h5io from 0.1.8 to 0.1.9 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1183
Bump pandas from 2.0.3 to 2.1.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1185
Bump gitpython from 3.1.32 to 3.1.34 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1184

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.4...pyiron_base-0.6.5

- Python
Published by niklassiemer over 2 years ago

pyiron_base - pyiron_base-0.6.4

What's Changed

Flux Template rendering fix by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1171
Bump dill from 0.3.6 to 0.3.7 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1172
Bump tqdm from 4.65.0 to 4.66.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1176
Bump sqlalchemy from 2.0.19 to 2.0.20 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1177
Turn np.arrayequal into proper asserts by @pmrv in https://github.com/pyiron/pyironbase/pull/1147

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.3...pyiron_base-0.6.4

- Python
Published by niklassiemer over 2 years ago

pyiron_base - pyiron_base-0.6.3

What's Changed

Bug fixes for flux by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1165
Bump sqlalchemy from 2.0.18 to 2.0.19 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1167
Bump gitpython from 3.1.31 to 3.1.32 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1166
Tab completed loading by @liamhuber in https://github.com/pyiron/pyiron_base/pull/951
Update pysqa to 0.1.0 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1170

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.2...pyiron_base-0.6.3

- Python
Published by niklassiemer over 2 years ago

pyiron_base - pyiron_base 0.6.2

What's Changed

Implement concurrent.futures.ProcessPoolExecutor interface by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1155
Reimplement the flux interface by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1154
Fixes for parallel master without database by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1156
Bump h5io from 0.1.7 to 0.1.8 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1160
Bump sqlalchemy from 2.0.17 to 2.0.18 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1161

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.1.dev.0...pyiron_base-0.6.2

- Python
Published by jan-janssen over 2 years ago

pyiron_base - pyiron_base-0.6.1.dev.0

This is a pre-release test

What's Changed

GPU bug fix by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1127
Add tests for server object by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1128
Bump sqlalchemy from 2.0.15 to 2.0.16 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1129
Update deploy workflow by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1118
Add numpy equality check for unit tests by @pmrv in https://github.com/pyiron/pyiron_base/pull/1133
Merge main by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1134
Fix error message by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1136
Revert flux introduction by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1141
FileTable on windows by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1139
Fix maintenance and add tests by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1132
Check if project path exists before creating Project by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1138
Bump h5py from 3.8.0 to 3.9.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1145
Drop pathlib2 by @pmrv in https://github.com/pyiron/pyiron_base/pull/1148
Add method to delete arrays from FlattenedStorage by @pmrv in https://github.com/pyiron/pyiron_base/pull/1149
Bump sqlalchemy from 2.0.16 to 2.0.17 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1146
Bump pandas from 2.0.2 to 2.0.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1150

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.1...pyiron_base-0.6.1.dev.0

- Python
Published by srmnitc over 2 years ago

pyiron_base - pyiron_base-0.6.1

What's Changed

Drop future support by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1125
Add GPU support by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1126

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.6.0...pyiron_base-0.6.1

- Python
Published by niklassiemer over 2 years ago

pyiron_base - pyiron_base 0.6.0

The pyiron_base 0.6.X release drops support for Python 3.8. While Python 3.8 only reaches its end of life in October 2024, the advantages of type hinting in Python >=3.9 convinced us to drop Python 3.8 support early.

What's Changed

Remove working directory warnings by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1105
Queue status by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1123
Update pysqa to 0.0.25 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1124
Bump pint from 0.21 to 0.22 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1107

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.42...pyiron_base-0.6.0

- Python
Published by jan-janssen over 2 years ago

pyiron_base - pyiron_base 0.5.42

What's Changed

Implement runmode flux based on the flux python interface by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1120
Runmode manually: Fix message when run without database by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1119
Move all run functions to separate module by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1121

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.41...pyiron_base-0.5.42

- Python
Published by jan-janssen over 2 years ago

pyiron_base - pyiron_base-0.5.41

The last release (pyironbase-0.5.40) was not fully uploaded to PyPI and is yanked / not available on conda. Thus I include all changes to pyironbase-0.5.39 here:

What's Changed

Fix command line crashing by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1109
fix for missing pyironconfig in contrib by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1111
Add command line option to collect jobs by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1110
Bump pandas from 2.0.1 to 2.0.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1116
HasStoredTraits: Use setitem instead of setattr by @pmrv in https://github.com/pyiron/pyiron_base/pull/1115
Do not try to double write objects that define tohdf by @pmrv in https://github.com/pyiron/pyironbase/pull/1113
Secure UpdateDependabotPR.yml by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1117
Allow for projectpath to be relative by @liamhuber in https://github.com/pyiron/pyironbase/pull/1104
Polish filetable by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1101
Only try to lock Traits objects by @pmrv in https://github.com/pyiron/pyiron_base/pull/1112

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.39...pyiron_base-0.5.41

- Python
Published by niklassiemer over 2 years ago

pyiron_base - pyiron_base-0.5.39

What's Changed

Merge main by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1094
Updates to FileTable by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1095
Efficient and stable file table by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1076
Bump sqlalchemy from 2.0.13 to 2.0.15 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1102
Refactor load_file to be more flexible by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1099

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.38...pyiron_base-0.5.39

- Python
Published by niklassiemer almost 3 years ago

pyiron_base - pyiron_base-0.5.38

What's Changed

Update coverage token by @pyiron-runner in https://github.com/pyiron/pyiron_base/pull/1077
Bump pandas from 2.0.0 to 2.0.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1079
Bump sqlalchemy from 2.0.10 to 2.0.12 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1078
update pysqa to 0.0.21 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1081
Update pysqa to 0.0.22 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1084
Add support for additional arguments in the queue scripts by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1082
remove delete remote by @Leimeroth in https://github.com/pyiron/pyiron_base/pull/1086
Update pysqa to 0.0.23 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1087
Bump pint from 0.20.1 to 0.21 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1088
Pysqa update to 0.0.24 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1091
Update pyfileindex to 0.0.8 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1092
Bump sqlalchemy from 2.0.12 to 2.0.13 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1098
Bump pyfileindex from 0.0.8 to 0.0.11 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1097

New Contributors

@pyiron-runner made their first contribution in https://github.com/pyiron/pyiron_base/pull/1077

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.37...pyiron_base-0.5.38

- Python
Published by niklassiemer almost 3 years ago

pyiron_base - pyiron_base-0.5.37

What's Changed

Fix runtimetodb() for jobs submitted to remote computers by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1067
Bump pysqa from 0.0.19 to 0.0.20 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1071
Bump numpy from 1.24.2 to 1.24.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1069
Bump sqlalchemy from 2.0.9 to 2.0.10 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1068
Bump psutil from 5.9.4 to 5.9.5 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1070

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.36...pyiron_base-0.5.37

- Python
Published by niklassiemer almost 3 years ago

pyiron_base - pyiron_base-0.5.36

What's Changed

Bump sqlalchemy from 1.4.46 to 2.0.8 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1062
Bump tables from 3.7.0 to 3.8.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/962
Bump sqlalchemy from 2.0.8 to 2.0.9 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1065
Allow unknown credentials by @niklassiemer in https://github.com/pyiron/pyiron_base/pull/1064

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.35...pyiron_base-0.5.36

- Python
Published by niklassiemer almost 3 years ago

pyiron_base - pyiron_base-0.5.35

What's Changed

Update pandas to 2.0.0 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1063

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.34...pyiron_base-0.5.35

- Python
Published by niklassiemer almost 3 years ago

pyiron_base - pyiron_base-0.5.34

What's Changed

project pack raise warning when destinationpath matches project path by @jan-janssen in https://github.com/pyiron/pyironbase/pull/1047
setting ProjectData to be lazy by default by @yasser-sulaiman in https://github.com/pyiron/pyiron_base/pull/1005
Allow external tags in DataContainer by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1001
Bump tqdm from 4.64.1 to 4.65.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1052
HasHDF: Use generic listgroups instead of listdirs by @pmrv in https://github.com/pyiron/pyiron_base/pull/1054
Add WCI file by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1055

New Contributors

@yasser-sulaiman made their first contribution in https://github.com/pyiron/pyiron_base/pull/1005

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.33...pyiron_base-0.5.34

- Python
Published by niklassiemer almost 3 years ago

pyiron_base - pyiron_base-0.5.33

What's Changed

Bump traitlets from 5.8.1 to 5.9.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1024
Bump sqlalchemy from 2.0.0 to 2.0.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1025
Bump numpy from 1.24.1 to 1.24.2 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1023
Tell user to restart server when pyiron install ends by @samwaseda in https://github.com/pyiron/pyiron_base/pull/1027
fix black formatting by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1028
fix pyironatomistics project level createjob() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1030
Bump sqlalchemy from 2.0.1 to 2.0.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1032
Clean generic.py and core.py - part 1 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1035
Merge master by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1037
Clean generic.py and core.py - part 2 by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1036
Bump gitpython from 3.1.30 to 3.1.31 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1038
Bump sqlalchemy from 2.0.3 to 2.0.4 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1039
Use safe getitem() to enable reloading jobs with special characters like spaces by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1042
Downgrade sqlalchemy by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1043

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.32...pyiron_base-0.5.33

- Python
Published by liamhuber almost 3 years ago

pyiron_base - pyiron_base-0.5.32

What's Changed

Always write status to HDF5 file in collect() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/973
Bump pysqa from 0.0.17 to 0.0.18 by @dependabot in https://github.com/pyiron/pyiron_base/pull/977
Bump traitlets from 5.8.0 to 5.8.1 by @dependabot in https://github.com/pyiron/pyiron_base/pull/975
Bump future from 0.18.2 to 0.18.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/976
Remove redundant _check_if_input_should_be_written() by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/985
Split executejobwithexternalexecutable() into multiple sub functions by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/987
Support lookup of job status for pyiron installations without database by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/972
Call the correct logging method by @pmrv in https://github.com/pyiron/pyiron_base/pull/980
Remove relative imports for cli by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/988
Update resource link to default to latest by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/990
Remove unused import statements by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/991
refactor file table, add docstrings and resort functions by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/989
Make it easier to store the run time by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/984
Add a run decorator by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/992
Dont fetch waiting jobs by @Leimeroth in https://github.com/pyiron/pyiron_base/pull/971
Bump pandas from 1.5.2 to 1.5.3 by @dependabot in https://github.com/pyiron/pyiron_base/pull/998
Move signal catching to separate module and refactor by @pmrv in https://github.com/pyiron/pyiron_base/pull/967
project - raise error when the directory was not created by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/997
fix black formating by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1003
Set maxtasksperchild for worker class by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1004
Bump h5py from 3.7.0 to 3.8.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1007
Cleaner tests by @liamhuber in https://github.com/pyiron/pyiron_base/pull/1000
Uniform database access to get child ids by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1010
Always store children in working directory of Master by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1009
Fix broken Database tests by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1013
Merge Master by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1014
black formatting by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1017
Back to mappings by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1019
jobtable: Check for str before checking for character by @pmrv in https://github.com/pyiron/pyironbase/pull/1012
Backwards compatiblity by @jan-janssen in https://github.com/pyiron/pyiron_base/pull/1022
Bump sqlalchemy from 1.4.46 to 2.0.0 by @dependabot in https://github.com/pyiron/pyiron_base/pull/1008

Full Changelog: https://github.com/pyiron/pyironbase/compare/pyironbase-0.5.31...pyiron_base-0.5.32

- Python
Published by liamhuber almost 3 years ago

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