minValue -> minimum

Dockerfile-mordred

@@ -11,7 +11,7 @@ ENV HOME=/code
 WORKDIR ${HOME}
 
 # install our requirements. RDKit is present in base container
-RUN pip install pip install mordredcommunity==2.0.4 \
+RUN pip install mordredcommunity==2.0.4 \
   im-standardize-molecule==0.1.0 \
   im-data-manager-job-utilities==1.1.1
 

Dockerfile-nextflow

@@ -1,4 +1,4 @@
-FROM debian:buster
+FROM debian:bullseye
 LABEL maintainer="Tim Dudgeon<tdudgeon@informaticsmatters.com>"
 # Note:     When run by the Data Manager the uid and gid
 #           will be set according to the Project we're running against.

Dockerfile-oddt

@@ -6,7 +6,8 @@ FROM informaticsmatters/vs-rdkit-base:latest
 #           for execution, and so we must ensure the code runs
 #           as any user.
 
-RUN apt-get -y install git &&\
+RUN apt-get -y update &&\
+  apt-get -y install git &&\
   apt-get clean
 
 ENV PYTHONPATH=/code

Dockerfile-rdock

@@ -1,6 +1,8 @@
 FROM informaticsmatters/rdock:2013.1
 LABEL maintainer="Tim Dudgeon<tdudgeon@informaticsmatters.com>"
 
+USER 0
+
 RUN yum -y update &&\
     yum -y install python-jinja2 &&\
     yum clean all
@@ -9,3 +11,5 @@ RUN pip install im-data-manager-job-utilities==1.0.1
 
 COPY prepare_rdock.py rdock_*.sh /code/
 RUN chmod 755 /code/prepare_rdock.py
+
+USER rdock

data-manager/im-virtual-screening.yaml

@@ -524,7 +524,7 @@ jobs:
           top:
             title: Keep best n records
             type: integer
-            minValue: 1
+            minimum: 1
     tests:
       simple-sort:
         inputs:
@@ -634,7 +634,7 @@ jobs:
           top:
             title: Keep best n records
             type: integer
-            minValue: 1
+            minimum: 1
     tests:
       group-and-sort:
         inputs:
@@ -1922,7 +1922,7 @@ jobs:
             title: Size of chunks to split
             type: integer
             default: 1000
-            minValue: 100
+            minimum: 100
     tests:
       simple-execution:
         inputs:

data-manager/rdkit.yaml

@@ -918,8 +918,7 @@ jobs:
             - pipe
           idColumn:
             title: Index (text) or name (SDF) to use for the ID field
-            type:
-            - string
+            type: string
             pattern: "^[A-Za-z0-9_\\.\\- ]+$"
           readRecords:
             title: Number of records to read field names
@@ -1963,7 +1962,7 @@ jobs:
             title: Size of chunks to split
             type: integer
             default: 1000
-            minValue: 100
+            minimum: 100
     tests:
       simple-execution:
         inputs: