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CI CI #241: Scheduled
January 5, 2025 01:48 4m 47s main
main
January 5, 2025 01:48 4m 47s
Removed NAGL version pin in install command to avoid accidental redir… CI #240: Commit a097fb1 pushed by timbernat
January 4, 2025 03:46 4m 46s main
main
January 4, 2025 03:46 4m 46s
Added missing pubchempy requirement to "chemdb" optional category CI #239: Commit 3b95149 pushed by timbernat
January 4, 2025 03:27 4m 37s main
main
January 4, 2025 03:27 4m 37s
Corrected Python 3.11.* fuzzy version match syntax CI #238: Commit 3b84746 pushed by timbernat
January 4, 2025 02:23 4m 21s main
main
January 4, 2025 02:23 4m 21s
Overhauled front-facing README CI #237: Commit fc10cd9 pushed by timbernat
January 4, 2025 02:15 3m 54s main
main
January 4, 2025 02:15 3m 54s
Changed espaloma_charge dependency from pip-based to conda-based CI #236: Commit 013949f pushed by timbernat
January 4, 2025 02:12 4m 5s main
main
January 4, 2025 02:12 4m 5s
Updated conda-envs/dev-build.yml to include current exact state of de… CI #235: Commit fa74bad pushed by timbernat
January 3, 2025 23:21 3m 55s main
main
January 3, 2025 23:21 3m 55s
Updated Python 3.11 version match check from strict to fuzzy CI #234: Commit 0ad6b50 pushed by timbernat
January 3, 2025 23:17 4m 10s main
main
January 3, 2025 23:17 4m 10s
Consolidated "jupyter" and "visuals" optional dependencies into singl… CI #233: Commit 1777808 pushed by timbernat
January 3, 2025 23:15 4m 49s main
main
January 3, 2025 23:15 4m 49s
Added dependency prechecks for cirpy and pubchempy packages to smiles… CI #232: Commit a9b9a95 pushed by timbernat
January 3, 2025 23:06 4m 56s main
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January 3, 2025 23:06 4m 56s
CI CI #231: Scheduled
December 29, 2024 01:49 4m 13s main
main
December 29, 2024 01:49 4m 13s
CI CI #230: Scheduled
December 22, 2024 01:48 5m 3s main
main
December 22, 2024 01:48 5m 3s
Added env file specifically for packaing/PyPI uploads CI #229: Commit 81401ce pushed by timbernat
December 19, 2024 04:39 4m 18s main
main
December 19, 2024 04:39 4m 18s
Pinned numpy to be below 2.0.0 to avoid dependency conflicts CI #228: Commit c1a1255 pushed by timbernat
December 19, 2024 04:35 4m 56s main
main
December 19, 2024 04:35 4m 56s
Updated incompatible numpy float type annotation CI #227: Commit 77fe020 pushed by timbernat
December 19, 2024 03:22 4m 59s main
main
December 19, 2024 03:22 4m 59s
Added placeholder fallback command in case conda yaml doesn't include… CI #226: Commit 9c50dec pushed by timbernat
December 19, 2024 01:02 5m 45s main
main
December 19, 2024 01:02 5m 45s
Added Sphinx theme to dependencies to nudge along docs build CI #225: Commit efb8880 pushed by timbernat
December 18, 2024 04:15 4m 40s main
main
December 18, 2024 04:15 4m 40s
Added espaloma-charge req, pinned nglview req version CI #224: Commit 9db1c71 pushed by timbernat
December 18, 2024 03:53 4m 9s main
main
December 18, 2024 03:53 4m 9s
Added pip dependencies to pyproject.toml CI #223: Commit 40e8146 pushed by timbernat
December 18, 2024 03:50 4m 6s main
main
December 18, 2024 03:50 4m 6s
Added python block to readthedocs.yaml CI #222: Commit d37a581 pushed by timbernat
December 18, 2024 03:15 4m 37s main
main
December 18, 2024 03:15 4m 37s
Merge pull request #37 from timbernat/dev CI #221: Commit 84a530d pushed by timbernat
December 18, 2024 01:45 4m 26s main
main
December 18, 2024 01:45 4m 26s
CI CI #220: Scheduled
December 15, 2024 01:57 5m 6s main
main
December 15, 2024 01:57 5m 6s
Polymerist omnibus improvements CI #219: Pull request #37 opened by timbernat
December 12, 2024 20:34 4m 36s dev
dev
December 12, 2024 20:34 4m 36s
Merge pull request #34 from timbernat/DOP-hotfix CI #218: Commit ce9e052 pushed by timbernat
December 12, 2024 00:57 4m 19s dev
dev
December 12, 2024 00:57 4m 19s
Polymer builder overhaul CI #217: Pull request #34 synchronize by timbernat
December 12, 2024 00:45 4m 23s DOP-hotfix
DOP-hotfix
December 12, 2024 00:45 4m 23s