LAB-507 Add colabfold mini canary (#592)

infrastructure/ansible/files/colabfold_mini_canary.sh

@@ -0,0 +1,33 @@
+#!/bin/bash
+
+# exit the whole script if any command returns a non-zero exit code
+set -e
+
+# plex must run from the same place as tools directory
+cd {{ repo_dir }}
+
+plex create -t {{ repo_dir }}/tools/colabfold-mini.json -i {{ repo_dir}}/testdata/folding --autoRun=True -a test -a cron | tee plex_colabfold_out.log
+# capture the exit status of the plex call
+plex_result_code=${PIPESTATUS[0]}
+# exit immediately if plex exited with an error
+if [ $plex_result_code -gt 0 ]; then
+  exit $plex_result_code
+fi
+
+# parse the output directory from the plex stdout
+result_dir=$(cat plex_colabfold_out.log | grep 'Finished processing, results written to' | sed -n 's/^.*Finished processing, results written to //p' | sed 's/\/io.json//')
+
+# exit if no docked files are found
+cd "$result_dir/entry-0/outputs"
+if [ "$(find . -name '*scores.json')" == "" ]; then
+  echo "No scores fiels found"
+  exit 1
+else
+  echo "Scores files found"
+fi
+
+rm -rf $result_dir
+
+curl -X POST -H "Authorization: Bearer ${HEII_ON_CALL_API_KEY}" https://api.heiioncall.com./triggers/991a6388-5c61-422c-b8cf-202b4c4b55a6/checkin
+
+echo "Colabfold mini canary success"

infrastructure/ansible/files/equibind_canary.sh

@@ -6,7 +6,7 @@ set -e
 # plex must run from the same place as tools directory
 cd {{ repo_dir }}
 
-plex create -t {{ repo_dir }}/tools/equibind.json -i {{ repo_dir }}/testdata/binding/pdbbind_processed_size1 -a test -a cron --autoRun=true 2>&1 | tee plex_out.log
+plex create -t {{ repo_dir }}/tools/equibind.json -i {{ repo_dir }}/testdata/binding/pdbbind_processed_size1 -a test -a cron --autoRun=true 2>&1 | tee plex_equibind_out.log
 # capture the exit status of the plex call
 plex_result_code=${PIPESTATUS[0]}
 # exit immediately if plex exited with an error
@@ -15,7 +15,7 @@ if [ $plex_result_code -gt 0 ]; then
 fi
 
 # parse the output directory from the plex stdout
-result_dir=$(cat plex_out.log | grep 'Finished processing, results written to' | sed -n 's/^.*Finished processing, results written to //p' | sed 's/\/io.json//')
+result_dir=$(cat plex_equibind_out.log | grep 'Finished processing, results written to' | sed -n 's/^.*Finished processing, results written to //p' | sed 's/\/io.json//')
 
 # exit if no docked files are found
 cd "$result_dir/entry-0/outputs"

infrastructure/ansible/provision_canary.yaml

@@ -1,6 +1,6 @@
 - name: Provision Canary
   remote_user: ubuntu
-  hosts: "{{ target_hosts | default('tag_Type_compute') }}"
+  hosts: "{{ target_hosts | default('tag_Type_compute_only') }}"
   vars:
     canary_dir: /opt/local/canary
     repo_dir: "{{ canary_dir }}/repo"
@@ -31,14 +31,26 @@
       vars:
         plex_dir: "{{ binary_dir }}"
 
-    - name: Place canary srcript
+    - name: Place equibind canary script
       ansible.builtin.template:
         src: files/equibind_canary.sh
         dest: "{{ canary_dir }}/equibind_canary.sh"
         mode: 'u+x'
 
-    - name: Set a cron job to run canary
+    - name: Place colabfold canary script
+      ansible.builtin.template:
+        src: files/colabfold_mini_canary.sh
+        dest: "{{ canary_dir }}/colabfold_mini_canary.sh"
+        mode: 'u+x'
+
+    - name: Set a cron job to run equibind canary
       ansible.builtin.cron:
         name: "Run equibind canary"
         job: "{{ canary_dir }}/equibind_canary.sh"
-        minute: "*/5"
+        minute: "*/5" # every 5 minutes
+
+    - name: Set a cron job to run colabfold
+      ansible.builtin.cron:
+        name: "Run colabfold canary"
+        job: "{{ canary_dir }}/colabfold_mini_canary.sh"
+        minute: "27" # once per hour