update readme for 18.03.0

 * update timings
 * link timings in readme
 * update changelog
 * update install instructions (no login required anymore)

CHANGELOG.md

@@ -1,5 +1,39 @@
 # Changelog
 
+## Quantum Mobile v18.03.0
+
+### Improvements
+
+- Add Wannier90 v2.1 + aiida-wannier90 v1.0.0
+
+### Build process
+
+- VM image built using Virtualbox 5.2.8
+
+## Quantum Mobile v18.02.2
+
+### Software updates
+* aiida-core v0.11.0
+* aiida-siesta v0.11.5
+
+## Quantum Mobile v18.02.0
+
+### Improvements
+
+- Add jupyter apps (just like on [jupyter.materialslcoud.org](jupyter.materialscloud.org))
+
+### Software updates
+* aiida-yambo v0.2.4
+* aiida-siesta v0.9.8
+* QE 6.2.1
+* SSSP (PBE) accuracy 1.0
+* SSSP (PBE) efficiency 1.0
+
+## Build process
+
+- VM image built using Virtualbox 5.2.6 + Guest Additions 5.2.7
+
+
 ## Quantum Mobile v17.12.0
 
 ### Improvements

INSTALL.md

@@ -3,11 +3,12 @@
  1. Download virtual machine image (${vm_image_size})
     https://object.cscs.ch/v1/AUTH_b1d80408b3d340db9f03d373bbde5c1e/marvel-vms/${fname}
     MD5 hash: ${vm_image_md5}
- 2. Install Virtual Box 5.2.6 or later
+ 2. Install Virtual Box 5.2.8 or later
     www.virtualbox.org
  3. Import virtual machine image into Virtualbox (${vm_vdisk_size})
     File => Import Appliance
- 4. Log in using username / password: ${vm_user} / ${vm_password}
+
+Note: username: `${vm_user}`, password: `${vm_password}`
 
 ## Contact
 

README.md

@@ -26,10 +26,9 @@ For issues encountered during installation of the VM, see the [FAQ](https://gith
 
 You would like to add/remove some components of the VM
 and produce your own modified VM image?
-Then, the first step is to familiarize yourself with how the VM is set up.
 
 This git repository contains all the vagrant and ansible scripts 
-required to set up the VM from scratch.
+required to set up the VM from scratch (note: [plan >1h](other_stuff/timings.txt) for this).
 
 ### Prerequisites
 

Vagrantfile

@@ -35,16 +35,10 @@ Vagrant.configure(2) do |config|
      vb.customize [ "guestproperty", "set", :id, "/VirtualBox/GuestAdd/VBoxService/--timesync-set-threshold", 10000 ]
    end
 
-  # Vagrant automatically updates/upgrades the Guest Additions at every 
-  # login (this requires 'vagrant plugin install vbguest')
-  # Uncomment the following if you don't want to check/update the
-  # Guest Additions at every reboot, but just once
-  #config.vbguest.auto_update = false
-  #
-  # VirtualBox 5.2.6 ships broken GuestAdditions, see
-  # https://www.virtualbox.org/wiki/Downloads
-  # Do: vagrant vbguest --do install
-  config.vbguest.iso_path = "https://www.virtualbox.org/download/testcase/VBoxGuestAdditions_5.2.7-120528.iso"
+  # Vagrant automatically updates the Guest Additions on 'vagrant up'
+  # (this requires 'vagrant plugin install vbguest')
+  # To disable this, uncomment the following
+  #config.vbguest.auto_update = false 
 
   # Uncomment to avoid remote downloads of ISO
   #config.vbguest.no_remote = true

compact_hd.sh

@@ -1,8 +1,6 @@
 #!/bin/bash
 set -e
 
-echo "### WARNING - THIS HAS ONLY BEEN TESTED ONCE"
-
 echo "### Parsing globalconfig.yml"
 source other_stuff/yaml_parser.sh
 eval $(parse_yaml globalconfig.yml)

globalconfig.yml

@@ -1,6 +1,6 @@
 ---
 # Caution: This file is read by vagrant, ansible and bash
-vm_version: "18.02.2"
+vm_version: "18.03.0"
 vm_name: "Quantum Mobile"
 vm_description: "A Virtual Machine for Computational Materials Science"
 vm_url: "https://github.com/marvel-nccr/marvel-virtualmachine"

other_stuff/timings.txt

@@ -1,13 +1,14 @@
-Approximate timings for different parts of the setup
+Approximate timings for components of build process
 * vagrant up                    3 min
 * ansible common:              10 min
 * ansible customizations        2 min
 * ansible simulationtools       1 min
-* ansible QE                   10 min (+ > 30 min tests)
+* ansible QE                    7 min (+30 min for tests)
 * ansible yambo                 5 min
-* ansible fleur                 3 min (+3 min for tests)
+* ansible fleur                 4 min (+3 min for tests)
 * ansible siesta                3 min
 * ansible cp2k                  1 min
+* ansible wannier90             2 min
 * ansible aiida-core            4 min
-* ansible aiida-core            4 min
-* ansible aiida-*** (rest)      3 min
+* ansible aiida plugins         4 min
+* ansible jupyter               2 min