CI

Workflow runs for CI

• Update dependency prolif to v2.2.3

  failed:
  CI#85:Pull request#67openedbyrenovate[bot]Bot
  renovate/prolif-2.x

  Oct 14, 20269m 46s
  More actions for workflow run 85

• Update GitHub Actions

  failed:
  CI#84:Pull request#66openedbyrenovate[bot]Bot
  renovate/github-actions

  Oct 12, 20269m 17s
  More actions for workflow run 84

• Update dependency rdkit to v2026

  failed:
  CI#83:Pull request#61synchronizebyrenovate[bot]Bot
  renovate/rdkit-2026.x

  Oct 8, 20269m 47s
  More actions for workflow run 83

• Add web-meta.yaml for OpenForceField Tools workshop

  failed:
  CI#82:Pull request#65synchronizebyjimboid
  web-meta

  Oct 5, 202616m 48s
  More actions for workflow run 82

• Add web-meta.yaml for OpenForceField Tools workshop

  failed:
  CI#81:Pull request#65synchronizebyjimboid
  web-meta

  Oct 3, 20269m 52s
  More actions for workflow run 81

• Add web-meta.yaml for OpenForceField Tools workshop

  failed:
  CI#80:Pull request#65openedbyjimboid
  web-meta

  Oct 3, 20269m 2s
  More actions for workflow run 80

• Update dependency ubuntu to v26

  failed:
  CI#79:Pull request#64openedbyrenovate[bot]Bot
  renovate/major-github-actions

  Oct 2, 20266m 36s
  More actions for workflow run 79

• Update ghcr.io/ccpbiosim/jupyterhub-base:latest Docker digest to 9396d59

  failed:
  CI#78:Pull request#63openedbyrenovate[bot]Bot
  renovate/ghcr.io-ccpbiosim-jupyterhub-base-latest

  Oct 2, 20266m 54s
  More actions for workflow run 78

• Update dependency prolif to v2.2.2

  failed:
  CI#77:Pull request#62openedbyrenovate[bot]Bot
  renovate/prolif-2.x

  Sep 28, 20268m 28s
  More actions for workflow run 77

• Update dependency rdkit to v2026

  failed:
  CI#76:Pull request#61synchronizebyrenovate[bot]Bot
  renovate/rdkit-2026.x

  Sep 25, 202610m 52s
  More actions for workflow run 76

• Update dependency rdkit to v2026

  failed:
  CI#75:Pull request#61openedbyrenovate[bot]Bot
  renovate/rdkit-2026.x

  Sep 23, 202614m 20s
  More actions for workflow run 75

• Add rdkit dependency to Dockerfile

  failed:
  CI#74:Pull request#60openedbyjimboid
  jimboid-patch-1

  Sep 23, 202613m 46s
  More actions for workflow run 74

• Pin ghcr.io/ccpbiosim/jupyterhub-base Docker tag to 2cdbd3f

  failed:
  CI#73:Pull request#59openedbyrenovate[bot]Bot
  renovate/pin-dependencies

  Sep 22, 202614m 4s
  More actions for workflow run 73

• Pin dependencies

  failed:
  CI#72:Pull request#58openedbyrenovate[bot]Bot
  renovate/github-actions

  Sep 22, 202614m 25s
  More actions for workflow run 72

• Uncomment script copy and execution in Dockerfile

  failed:
  CI#71:Pull request#57openedbyjimboid
  jimboid-patch-1

  Sep 22, 202613m 43s
  More actions for workflow run 71

• Update ambertools and remove packmol in Dockerfile

  failed:
  CI#70:Pull request#55synchronizebyjimboid
  jimboid-patch-1

  Sep 18, 202614m 22s
  More actions for workflow run 70

• Update ambertools and remove packmol in Dockerfile

  cancelled:
  CI#69:Pull request#55synchronizebyjimboid
  jimboid-patch-1

  Sep 18, 202610m 37s
  More actions for workflow run 69

• Update ambertools and remove packmol in Dockerfile

  cancelled:
  CI#68:Pull request#55synchronizebyjimboid
  jimboid-patch-1

  Sep 18, 20265m 41s
  More actions for workflow run 68

• Update ambertools and remove packmol in Dockerfile

  cancelled:
  CI#67:Pull request#55synchronizebyjimboid
  jimboid-patch-1

  Sep 18, 202615s
  More actions for workflow run 67

• Update ambertools and remove packmol in Dockerfile

  failed:
  CI#66:Pull request#55openedbyjimboid
  jimboid-patch-1

  Sep 18, 202612m 11s
  More actions for workflow run 66

• Upstream sync

  failed:
  CI#65:Pull request#53synchronizebyjimboid
  upstream-sync

  Sep 17, 202624m 29s
  More actions for workflow run 65

• Upstream sync

  cancelled:
  CI#64:Pull request#53synchronizebyjimboid
  upstream-sync

  Sep 17, 20269m 56s
  More actions for workflow run 64

• Upstream sync

  cancelled:
  CI#63:Pull request#53synchronizebyjimboid
  upstream-sync

  Sep 17, 202627s
  More actions for workflow run 63

• Upstream sync

  cancelled:
  CI#62:Pull request#53synchronizebyjimboid
  upstream-sync

  Sep 17, 20263m 51s
  More actions for workflow run 62

• fix the nglview mismatch error in a graceful way

  failed:
  CI#61:Pull request#52openedbyjimboid
  nglview-fix

  Sep 15, 202610m 2s
  More actions for workflow run 61