Reduce RAM to 1.5 GB; update roles for slurm and bigdft.

Vagrantfile

@@ -79,6 +79,7 @@ Vagrant.configure(2) do |config|
        ansible_python_interpreter: "/usr/bin/python3",
     }
     ansible.raw_arguments = Shellwords.shellsplit(ENV['ANSIBLE_ARGS']) if ENV['ANSIBLE_ARGS']
+    # Ensure that public key auth is not disabled by the user's config
     ansible.raw_ssh_args = ['-o PubKeyAuthentication=yes -o DSAAuthentication=yes']
   end
 end

globalconfig.yml

@@ -13,7 +13,7 @@ vm_readme_file: "${HOME}/Desktop/README.md"
 vm_hostname: "qmobile"
 vm_user: "max"
 vm_password: "moritz"
-vm_memory: 2048
+vm_memory: 1536
 vm_cpus: 2
 vm_vram: 128
 vm_shared_folder: "/shared"

playbook.yml

@@ -94,6 +94,7 @@
       tags: wannier90
     - role: marvel-nccr.wannier_tools
       tags: wannier_tools
+    # this can be added back when ansible-role-bigdft/issues/8 is fixed
     #- role: marvel-nccr.bigdft
     #  tags: bigdft
     - role: marvel-nccr.aiidalab

requirements.yml

@@ -16,7 +16,7 @@
 - src: marvel-nccr.editors
   version: v1.0.2
 - src: marvel-nccr.slurm
-  version: v1.1.0
+  version: v1.2.0
 - src: marvel-nccr.quantum_espresso
   version: v1.1.4
 - src: marvel-nccr.yambo
@@ -28,7 +28,7 @@
 - src: marvel-nccr.cp2k
   version: v1.1.1
 - src: marvel-nccr.bigdft
-  version: v1.2.0
+  version: v1.3.0
 - src: marvel-nccr.wannier90
   version: v1.1.2
 - src: marvel-nccr.wannier_tools