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Merge pull request #138 from nomad-coe/MDAnalysis-version-update install-and-test-workflow #536: Commit 6743668 pushed by Bernadette-Mohr
December 17, 2024 10:31 6m 52s develop
develop
December 17, 2024 10:31 6m 52s
Removed unneccessary comment install-and-test-workflow #535: Commit 7748cbe pushed by Bernadette-Mohr
December 11, 2024 15:15 6m 36s MDAnalysis-version-update
MDAnalysis-version-update
December 11, 2024 15:15 6m 36s
Removed print statements, uncommented code install-and-test-workflow #534: Commit c4b701c pushed by Bernadette-Mohr
December 4, 2024 15:34 6m 56s MDAnalysis-version-update
MDAnalysis-version-update
December 4, 2024 15:34 6m 56s
Merge branch 'develop' into MDAnalysis-version-update install-and-test-workflow #533: Commit 20b8687 pushed by Bernadette-Mohr
December 4, 2024 14:45 6m 47s MDAnalysis-version-update
MDAnalysis-version-update
December 4, 2024 14:45 6m 47s
Rollback of GMX version check in gromacs parser. install-and-test-workflow #532: Commit bc1cc1e pushed by Bernadette-Mohr
December 4, 2024 14:35 6m 48s MDAnalysis-version-update
MDAnalysis-version-update
December 4, 2024 14:35 6m 48s
Relaxed python version dependency install-and-test-workflow #531: Commit a04cbad pushed by Bernadette-Mohr
December 4, 2024 13:19 3m 24s MDAnalysis-version-update
MDAnalysis-version-update
December 4, 2024 13:19 3m 24s
Bumped MDAnalysis version to >=2.8.0,<3.0.0, ruff to >=0.6 install-and-test-workflow #530: Commit b1955ef pushed by Bernadette-Mohr
December 4, 2024 12:55 1m 40s MDAnalysis-version-update
MDAnalysis-version-update
December 4, 2024 12:55 1m 40s
Merge pull request #137 from nomad-coe/bump-dependencies install-and-test-workflow #529: Commit 7309a2c pushed by Bernadette-Mohr
November 14, 2024 16:52 6m 35s develop
develop
November 14, 2024 16:52 6m 35s
Merge branch 'develop' into bump-dependencies install-and-test-workflow #528: Commit db3d73e pushed by Bernadette-Mohr
November 14, 2024 16:44 6m 39s bump-dependencies
bump-dependencies
November 14, 2024 16:44 6m 39s
Updated [dev] dependencies to match nomad-lab. install-and-test-workflow #527: Commit 7a47898 pushed by Bernadette-Mohr
November 14, 2024 16:29 6m 33s bump-dependencies
bump-dependencies
November 14, 2024 16:29 6m 33s
upgraded typing-extensions (#136) install-and-test-workflow #526: Commit 3c52bae pushed by JFRudzinski
November 6, 2024 10:46 8m 3s develop
develop
November 6, 2024 10:46 8m 3s
upgraded typing-extensions install-and-test-workflow #525: Commit 7f9fc00 pushed by JFRudzinski
November 6, 2024 10:36 7m 42s update-typing-extensions
update-typing-extensions
November 6, 2024 10:36 7m 42s
added Adams orc (#135) install-and-test-workflow #524: Commit fd4b111 pushed by Bernadette-Mohr
October 23, 2024 13:05 2m 58s handle-gmx2024
handle-gmx2024
October 23, 2024 13:05 2m 58s
added Adams orc (#135) install-and-test-workflow #523: Commit fd4b111 pushed by JFRudzinski
October 2, 2024 09:16 6m 46s develop
develop
October 2, 2024 09:16 6m 46s
added Adams orc install-and-test-workflow #522: Commit d3c368a pushed by JFRudzinski
October 2, 2024 09:06 6m 52s update_author_orcs
update_author_orcs
October 2, 2024 09:06 6m 52s
added zenodo doi (#134) install-and-test-workflow #521: Commit 6de81ba pushed by JFRudzinski
September 27, 2024 16:41 6m 37s develop
develop
September 27, 2024 16:41 6m 37s
added zenodo doi install-and-test-workflow #520: Commit 7bd0f6e pushed by JFRudzinski
September 27, 2024 16:32 6m 33s add_zenodo_doi
add_zenodo_doi
September 27, 2024 16:32 6m 33s
Zenodo publish Upload Python Package #3: Release v1.0.2 published by JFRudzinski
September 27, 2024 16:27 1m 51s
September 27, 2024 16:27 1m 51s
cff added (#133) install-and-test-workflow #519: Commit 3b69385 pushed by JFRudzinski
September 27, 2024 16:27 6m 40s v1.0.2
v1.0.2
September 27, 2024 16:27 6m 40s
cff added (#133) install-and-test-workflow #518: Commit 3b69385 pushed by JFRudzinski
September 27, 2024 16:21 6m 55s develop
develop
September 27, 2024 16:21 6m 55s
cff added install-and-test-workflow #517: Commit 052ead0 pushed by JFRudzinski
September 27, 2024 15:53 7m 15s prep_for_zenodo_publish
prep_for_zenodo_publish
September 27, 2024 15:53 7m 15s
Change to dynamic versioning (#132) install-and-test-workflow #516: Commit 6162be9 pushed by ladinesa
September 18, 2024 13:37 9m 6s develop
develop
September 18, 2024 13:37 9m 6s
Change to dynamic versioning install-and-test-workflow #515: Commit 1c76f38 pushed by ladinesa
September 18, 2024 10:39 6m 41s dynamic-version
dynamic-version
September 18, 2024 10:39 6m 41s
Minor fix install-and-test-workflow #514: Commit 7985558 pushed by ladinesa
September 17, 2024 13:27 6m 46s 115-problematic-parsing-of-traj-files-from-ase
115-problematic-parsing-of-traj-files-from-ase
September 17, 2024 13:27 6m 46s
Fix tests install-and-test-workflow #513: Commit 0983ea8 pushed by ladinesa
September 17, 2024 10:11 6m 40s 115-problematic-parsing-of-traj-files-from-ase
115-problematic-parsing-of-traj-files-from-ase
September 17, 2024 10:11 6m 40s