Merge branch 'develop'

CHANGELOG.md

@@ -1,6 +1,30 @@
 # Changelog
 
-## Quantum Mobile v19.12.0RC1
+## Quantum Mobile v20.03.0
+
+### Improvements
+* add WannierTools
+* add bigdft 1.9.0
+* add aiida-bigdft v0.1.0a0
+
+### Build process
+* ansible 2.9.5
+* Vagrant v2.2.7
+  * vbguest v0.23.0
+  * bento/ubuntu-18.04 v202002.04.0
+* Virtualbox v6.1.4
+
+### Software updates
+* yambo 4.5.1
+* siesta 4.1-rc1
+* cp2k 7.1
+* wannier90 3.1
+* aiida v1.1.0
+  * aiida-yambo 1.0
+  * aiidalab v20.2.0b2
+  * aiida-wannier90 v2.0.0
+
+## Quantum Mobile v19.12.0
 
 ### Improvements
 * first Quantum Mobile release with AiiDA 1.0
@@ -12,7 +36,6 @@
   * aiida-quantumespresso v3.0.0a5
   * aiida-siesta v1.0.0
   * aiida-fleur v1.0.0a0
-  * aiida-bigdft v0.1.0a0
 * aiidalab v19.11.0a2
 * yambo 4.4
 * QE 6.5 with EPW and Wannier90

INSTALL.md

@@ -4,8 +4,9 @@ Get Quantum Mobile running on your computer in three simple steps:
 
  1. Download virtual machine image (${vm_image_size})
     https://object.cscs.ch/v1/AUTH_b1d80408b3d340db9f03d373bbde5c1e/marvel-vms/${fname}
-    MD5 hash: ${vm_image_md5}
- 2. Install Virtual Box 6.0.0 or later
+    Filename: `${fname}`
+    MD5 hash: `${vm_image_md5}`
+ 2. Install Virtual Box 6.1.4 or later
     www.virtualbox.org
  3. Import virtual machine image into Virtualbox (${vm_vdisk_size})
     File => Import Appliance

README.md

@@ -15,6 +15,7 @@ mechanical calculations, including
  * [Siesta](https://gitlab.com/siesta-project/siesta)
  * [CP2K](https://www.cp2k.org)
  * [Wannier90](http://www.wannier.org)
+ * [BigDFT](http://www.bigdft.org)
 
 all of which are set up and ready to be used through on their own or through the
 [AiiDA](http://www.aiida.net) python framework for automated workflows and

Vagrantfile

@@ -27,7 +27,7 @@ Vagrant.configure(2) do |config|
      # makes mouse/typing more responsive
      vb.customize ["modifyvm", :id, "--accelerate3d", "on"]
      # see https://github.com/marvel-nccr/quantum-mobile/issues/99
-     vb.customize ["modifyvm", :id, "--graphicscontroller", "vboxsvga"]
+     vb.customize ["modifyvm", :id, "--graphicscontroller", "vmsvga"]
      vb.customize ["modifyvm", :id, "--clipboard", "bidirectional"]
      vb.customize ["modifyvm", :id, "--draganddrop", "bidirectional"]
      # turn off remote display (requires Virtualbox Extension pack)

globalconfig.yml

@@ -1,7 +1,7 @@
 ---
 # Caution: This file is read by vagrant, ansible and bash
 vm_name: "Quantum Mobile"
-vm_version: "19.12.0RC1"
+vm_version: "20.03.0"
 vm_description: "A Virtual Machine for Computational Materials Science"
 vm_url: "https://github.com/marvel-nccr/marvel-virtualmachine"
 vm_author: "MARVEL NCCR and MaX CoE"

hosts

@@ -1,4 +1,6 @@
 [vms:vars]
 ansible_ssh_common_args= -F vagrant-ssh
+# modify this line to switch to python2
+ansible_python_interpreter=/usr/bin/python3
 [vms]
 default ansible_user=vagrant