diff --git a/data-manager/silicos-it.yaml b/data-manager/silicos-it.yaml index d6b2cff..2267f07 100644 --- a/data-manager/silicos-it.yaml +++ b/data-manager/silicos-it.yaml @@ -11,7 +11,7 @@ jobs: name: 3D shape alignment with shape-it description: >- Perform a shape alignment of a set of 3D molecules to a reference 3D molecule using Silicos-it's shape-it tool. - version: '1.0.0' + version: '1.0.1' category: virtual screening keywords: - alignment @@ -21,8 +21,12 @@ jobs: - filter - 3d image: + # A third-party image we do not control and cannot republish, so the + # usual "pin an immutable tag" rule cannot be applied here - 'latest' + # is the only tag 3dechem/silicos-it has ever published (2017-08-15). + # See docs/versioning.md in the squonk2-jobs umbrella repository. name: 3dechem/silicos-it - tag: 'stable' + tag: 'latest' project-directory: /data working-directory: /data fix-permissions: true @@ -128,7 +132,7 @@ jobs: name: Pharmacophore alignment with align-it description: >- Perform an alignment of pre-generated pharmacophores to a reference 3D molecule using Silicos-it's align-it tool. - version: '1.0.0' + version: '1.0.1' category: virtual screening keywords: - alignment @@ -138,8 +142,10 @@ jobs: - filter - 3d image: + # See the note on shape-it-search above: 'latest' is the only tag this + # third-party image publishes. name: 3dechem/silicos-it - tag: 'stable' + tag: 'latest' project-directory: /data working-directory: /data fix-permissions: true