fixes for slurm scheduler

can now submit jobs but for some reason they don't start
Reason: Resources

Author: ltalirz

CHANGELOG.md

@@ -1,19 +1,21 @@
 # Changelog
 
-## Quantum Mobile v18.09.0
+## Quantum Mobile v18.10.0
+
+### Improvements
+* add link to FAQ on desktop
+* switch from torque to slurm scheduler
 
 ### Software updates
 * Ubuntu 18.04 LTS
 * Quantum Espresso v6.3
 * cp2k v6.1
 * yambo v4.2.4
+* fleur 0.27 MaXR3
 * siesta v4.0.2
 * aiida-core v0.12.2
 * aiidalab v18.09.0
-
-
-### Improvements
-* add link to FAQ on desktop
+* aiida-fleur v0.6.2
 
 ### Build process
 * Vagrant v2.1.6

globalconfig.yml

@@ -1,6 +1,6 @@
 ---
 # Caution: This file is read by vagrant, ansible and bash
-vm_version: "18.08.0"
+vm_version: "18.10.0"
 vm_name: "Quantum Mobile"
 vm_description: "A Virtual Machine for Computational Materials Science"
 vm_url: "https://github.com/marvel-nccr/marvel-virtualmachine"

playbook.yml

@@ -27,8 +27,8 @@
         add_user_password: "{{ vm_password }}"
         add_user_sudo: True
 
-# Note: it is important to pass variables to roles within a 'vars' group
-# If they are passed on the same indentation level as the role, the variable is
+# Note: it is important to pass variables to roles using the 'vars' dictionary.
+# If variables are passed on the same indentation level as the role, the variable is
 # set correctly inside the role, but following roles will read the *default*
 # value of the variable (as defined inside the role).
 - name: set up the VM
@@ -78,14 +78,13 @@
       tags: slurm
       vars:
         slurm_hostname: "{{ vm_hostname }}"
-        slurm_user: "{{ vm_user }}"
         slurm_cpus: "{{ vm_cpus }}"
         slurm_memory: "{{ vm_memory }}"
-#    - role: marvel-nccr.torque
-#      tags: torque
-#      vars:
-#        torque_hostname: "{{ vm_hostname }}"
-#        torque_cpus: "{{ vm_cpus }}"
+    - role: marvel-nccr.torque
+      tags: torque
+      vars:
+        torque_hostname: "{{ vm_hostname }}"
+        torque_cpus: "{{ vm_cpus }}"
     - role: marvel-nccr.quantum-espresso
       tags: quantum_espresso
       vars: 

requirements.txt

@@ -1,4 +1,7 @@
-ansible>=2.6
+ansible>=2.7
 passlib
 sphinx>=1.5
 paramiko
+# for testing
+molecule
+docker

requirements.yml

@@ -25,7 +25,7 @@
   version: master
 - src: marvel-nccr.add-user
   version: master
-- src: marvel-nccr.torque
+- src: marvel-nccr.slurm
   version: master
 - src: marvel-nccr.aiida
   version: master