diff --git a/CHANGELOG.md b/CHANGELOG.md index dc4de72..6f140d2 100644 --- a/CHANGELOG.md +++ b/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 diff --git a/globalconfig.yml b/globalconfig.yml index 889277d..91af15c 100644 --- a/globalconfig.yml +++ b/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" diff --git a/playbook.yml b/playbook.yml index 409700e..082be42 100644 --- a/playbook.yml +++ b/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: diff --git a/requirements.txt b/requirements.txt index 1b4990f..920eea8 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,4 +1,7 @@ -ansible>=2.6 +ansible>=2.7 passlib sphinx>=1.5 paramiko +# for testing +molecule +docker diff --git a/requirements.yml b/requirements.yml index 955fdf4..bdcb92a 100644 --- a/requirements.yml +++ b/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