From 5dc30d275f31bf160eea114bcd34a89b0bd57228 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Mon, 16 Dec 2019 18:08:22 +0100 Subject: [PATCH 01/12] add bigdft --- CHANGELOG.md | 4 +++- README.md | 1 + playbook.yml | 4 ++-- requirements.yml | 2 ++ 4 files changed, 8 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 1da9d8a..8c4ac6f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,9 +1,10 @@ # Changelog -## Quantum Mobile v19.12.0RC1 +## Quantum Mobile v19.12.0 ### Improvements * first Quantum Mobile release with AiiDA 1.0 +* add BigDFT + AiiDA plugin ### Software updates * Ubuntu 18.04.3 LTS @@ -17,6 +18,7 @@ * yambo 4.4 * QE 6.5 with EPW and Wannier90 * fleur 0.30 MaxR4 +* bigdft 1.9.0 ## Quantum Mobile v19.09.0 diff --git a/README.md b/README.md index fd1ca34..921ec66 100644 --- a/README.md +++ b/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 diff --git a/playbook.yml b/playbook.yml index 5343947..27413ef 100644 --- a/playbook.yml +++ b/playbook.yml @@ -91,8 +91,8 @@ # Wannier90 3.0 bundled with QE #- role: marvel-nccr.wannier90 # tags: wannier90 - #- role: marvel-nccr.bigdft - # tags: bigdft + - role: marvel-nccr.bigdft + tags: bigdft - role: marvel-nccr.aiidalab become: true become_user: "{{ vm_user }}" diff --git a/requirements.yml b/requirements.yml index 7901052..08e7a08 100644 --- a/requirements.yml +++ b/requirements.yml @@ -27,6 +27,8 @@ version: v1.0.1 - src: marvel-nccr.cp2k version: v1.0.1 +- src: marvel-nccr.bigdft + version: v1.0.0 - src: marvel-nccr.wannier90 version: v1.0.0 - src: marvel-nccr.aiida From 080943bf12889e838a0b0c1a94965f3074715bc8 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Thu, 6 Feb 2020 15:40:31 +0100 Subject: [PATCH 02/12] switch to python3 interpreter for ansible --- hosts | 2 ++ playbook.yml | 6 +++--- setup_ansible.sh | 2 ++ 3 files changed, 7 insertions(+), 3 deletions(-) diff --git a/hosts b/hosts index 351d7c0..61ca46b 100644 --- a/hosts +++ b/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 diff --git a/playbook.yml b/playbook.yml index 27413ef..43c863c 100644 --- a/playbook.yml +++ b/playbook.yml @@ -105,8 +105,8 @@ become: true become_user: "{{ vm_user }}" vars: - aiida_code_folder: "{{ vm_codes_folder }}" + aiida_source_folder: "{{ vm_codes_folder }}" aiida_data_folder: "{{ vm_data_folder }}/aiida" - aiida_localhost_cpus: "{{ vm_cpus }}" - aiida_localhost_scheduler: "{{ vm_scheduler }}" + aiida_computer_cpus: "{{ vm_cpus }}" + aiida_computer_scheduler: "{{ vm_scheduler }}" aiida_examples_folder: "{{ vm_examples_folder }}" diff --git a/setup_ansible.sh b/setup_ansible.sh index f798978..ef77d9c 100755 --- a/setup_ansible.sh +++ b/setup_ansible.sh @@ -15,6 +15,8 @@ echo "### Use e.g.: ssh -F vagrant-ssh default'" cat > hosts < Date: Fri, 7 Feb 2020 10:47:12 +0100 Subject: [PATCH 03/12] add filename to installation instructions Apparently, with some OS/browser combinations, the bit.ly shortened link downloads a file without .ova extension. --- INSTALL.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/INSTALL.md b/INSTALL.md index 79564ae..658888e 100644 --- a/INSTALL.md +++ b/INSTALL.md @@ -4,7 +4,8 @@ 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: ${vm_image_md5} + Filename: `${fname}` + MD5 hash: `${vm_image_md5}` 2. Install Virtual Box 6.0.0 or later www.virtualbox.org 3. Import virtual machine image into Virtualbox (${vm_vdisk_size}) From afb656fceb5ac327615acaad0005c44cb62b1274 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Thu, 13 Feb 2020 18:39:32 +0100 Subject: [PATCH 04/12] add new quantum mobile logo --- .../quantum-mobile-bg-v3.svg | 895 +++++++++++++++++ .../logos/quantum-mobile-v3-rotating.svg | 126 +++ .../logos/quantum-mobile-v4-text-square.svg | 910 ++++++++++++++++++ .../logos/quantum-mobile-v4-text-wide.svg | 909 +++++++++++++++++ other_stuff/logos/quantum-mobile-v4.svg | 795 +++++++++++++++ 5 files changed, 3635 insertions(+) create mode 100644 other_stuff/desktop-background/quantum-mobile-bg-v3.svg create mode 100644 other_stuff/logos/quantum-mobile-v3-rotating.svg create mode 100644 other_stuff/logos/quantum-mobile-v4-text-square.svg create mode 100644 other_stuff/logos/quantum-mobile-v4-text-wide.svg create mode 100644 other_stuff/logos/quantum-mobile-v4.svg diff --git a/other_stuff/desktop-background/quantum-mobile-bg-v3.svg b/other_stuff/desktop-background/quantum-mobile-bg-v3.svg new file mode 100644 index 0000000..f466938 --- /dev/null +++ b/other_stuff/desktop-background/quantum-mobile-bg-v3.svg @@ -0,0 +1,895 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + image/svg+xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + QUANTUMMOBILE + + + + + + + + + + diff --git a/other_stuff/logos/quantum-mobile-v3-rotating.svg b/other_stuff/logos/quantum-mobile-v3-rotating.svg new file mode 100644 index 0000000..a38a819 --- /dev/null +++ b/other_stuff/logos/quantum-mobile-v3-rotating.svg @@ -0,0 +1,126 @@ + + + +image/svg+xml  \ No newline at end of file diff --git a/other_stuff/logos/quantum-mobile-v4-text-square.svg b/other_stuff/logos/quantum-mobile-v4-text-square.svg new file mode 100644 index 0000000..48b5343 --- /dev/null +++ b/other_stuff/logos/quantum-mobile-v4-text-square.svg @@ -0,0 +1,910 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + image/svg+xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + QUANTUMMOBILE + + + + + + + + diff --git a/other_stuff/logos/quantum-mobile-v4-text-wide.svg b/other_stuff/logos/quantum-mobile-v4-text-wide.svg new file mode 100644 index 0000000..098a687 --- /dev/null +++ b/other_stuff/logos/quantum-mobile-v4-text-wide.svg @@ -0,0 +1,909 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + image/svg+xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + QUANTUMMOBILE + + + + + + + + diff --git a/other_stuff/logos/quantum-mobile-v4.svg b/other_stuff/logos/quantum-mobile-v4.svg new file mode 100644 index 0000000..a07ff93 --- /dev/null +++ b/other_stuff/logos/quantum-mobile-v4.svg @@ -0,0 +1,795 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + image/svg+xml + + + + + + + + + + + + + + + + + + + + + + + + + + From b5a42519a4f69bbd9b2e07907f9f35b25c69b0a2 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Thu, 13 Feb 2020 18:42:25 +0100 Subject: [PATCH 05/12] update qm customizations role --- requirements.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/requirements.yml b/requirements.yml index 08e7a08..20f3580 100644 --- a/requirements.yml +++ b/requirements.yml @@ -12,7 +12,7 @@ - src: marvel-nccr.ubuntu_desktop version: v1.0.1 - src: marvel-nccr.quantum_mobile_customizations - version: v1.0.4 + version: v1.0.5 - src: marvel-nccr.editors version: v1.0.1 - src: marvel-nccr.slurm From d0b6ce8b1224c0aa4cc102ecb8f8285059dfd504 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Thu, 27 Feb 2020 18:47:17 +0100 Subject: [PATCH 06/12] updates roles for 20.3.0 release * update role versions * update changelog --- CHANGELOG.md | 15 +++++++++++++++ globalconfig.yml | 2 +- requirements.yml | 8 ++++---- 3 files changed, 20 insertions(+), 5 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 8c4ac6f..8176f5f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,20 @@ # Changelog +## Quantum Mobile v20.03.0 + +### 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 +* cp2k 7.1 +* aiida v1.1.0 +* aiidalab v20.2.0b2 + ## Quantum Mobile v19.12.0 ### Improvements diff --git a/globalconfig.yml b/globalconfig.yml index bb4edc4..141ead7 100644 --- a/globalconfig.yml +++ b/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" diff --git a/requirements.yml b/requirements.yml index 20f3580..82b9507 100644 --- a/requirements.yml +++ b/requirements.yml @@ -20,21 +20,21 @@ - src: marvel-nccr.quantum_espresso version: v1.1.2 - src: marvel-nccr.yambo - version: v1.0.2 + version: v1.1.0 - src: marvel-nccr.fleur version: v1.0.2 - src: marvel-nccr.siesta version: v1.0.1 - src: marvel-nccr.cp2k - version: v1.0.1 + version: v1.1.0 - src: marvel-nccr.bigdft version: v1.0.0 - src: marvel-nccr.wannier90 version: v1.0.0 - src: marvel-nccr.aiida - version: v1.0.1 + version: v2.1.0 #- src: https://github.com/marvel-nccr/ansible-role-aiida.git # version: develop # name: marvel-nccr.aiida - src: marvel-nccr.aiidalab - version: v1.0.1 + version: v1.1.0 From b9c73b57408f81b21d16c8e2a8bf12518ae22828 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Thu, 27 Feb 2020 20:42:06 +0100 Subject: [PATCH 07/12] update aiida role fix issue with creating aiida data folder --- requirements.yml | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/requirements.yml b/requirements.yml index 82b9507..6053f11 100644 --- a/requirements.yml +++ b/requirements.yml @@ -32,9 +32,6 @@ - src: marvel-nccr.wannier90 version: v1.0.0 - src: marvel-nccr.aiida - version: v2.1.0 -#- src: https://github.com/marvel-nccr/ansible-role-aiida.git -# version: develop -# name: marvel-nccr.aiida + version: v2.1.1 - src: marvel-nccr.aiidalab version: v1.1.0 From e8b12c68c2950c18d6dafdf9e0486be9a6419c4b Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Mon, 2 Mar 2020 18:52:32 +0100 Subject: [PATCH 08/12] update aiida & cp2k reqs + update graphicscontroller to "vmsvga" - see https://superuser.com/a/1403131/345438 --- Vagrantfile | 2 +- requirements.yml | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/Vagrantfile b/Vagrantfile index bfc3e2d..33ad44a 100644 --- a/Vagrantfile +++ b/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) diff --git a/requirements.yml b/requirements.yml index 6053f11..9bee277 100644 --- a/requirements.yml +++ b/requirements.yml @@ -26,12 +26,12 @@ - src: marvel-nccr.siesta version: v1.0.1 - src: marvel-nccr.cp2k - version: v1.1.0 + version: v1.1.1 - src: marvel-nccr.bigdft version: v1.0.0 - src: marvel-nccr.wannier90 version: v1.0.0 - src: marvel-nccr.aiida - version: v2.1.1 + version: v2.1.2 - src: marvel-nccr.aiidalab version: v1.1.0 From 28b4c7e0b97e2febc07db2d0909f543577c9d01f Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Mon, 2 Mar 2020 20:55:46 +0100 Subject: [PATCH 09/12] bump aiida role --- requirements.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/requirements.yml b/requirements.yml index 9bee277..a4a4b2d 100644 --- a/requirements.yml +++ b/requirements.yml @@ -32,6 +32,6 @@ - src: marvel-nccr.wannier90 version: v1.0.0 - src: marvel-nccr.aiida - version: v2.1.2 + version: v2.1.3 - src: marvel-nccr.aiidalab version: v1.1.0 From c7b7f34f40f14b8bbebc66f122b731f6cb571305 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Sun, 8 Mar 2020 03:30:36 +0100 Subject: [PATCH 10/12] release candidate 20.03.0RC1 --- CHANGELOG.md | 8 +++++++- compact_hd.sh | 10 +++++----- playbook.yml | 13 ++++++++++--- requirements.yml | 12 +++++++----- 4 files changed, 29 insertions(+), 14 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 8176f5f..73febe7 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -2,6 +2,9 @@ ## Quantum Mobile v20.03.0 +### Improvements +* add WannierTools + ### Build process * ansible 2.9.5 * Vagrant v2.2.7 @@ -11,9 +14,12 @@ ### Software updates * yambo 4.5.1 +* siesta 4.1-rc1 * cp2k 7.1 +* wannier90 3.1 * aiida v1.1.0 -* aiidalab v20.2.0b2 + * aiida-yambo 1.0 + * aiidalab v20.2.0b2 ## Quantum Mobile v19.12.0 diff --git a/compact_hd.sh b/compact_hd.sh index c5d3b88..7ca529a 100755 --- a/compact_hd.sh +++ b/compact_hd.sh @@ -19,11 +19,11 @@ vdisk_uuid=${BASH_REMATCH[1]} vm_vdisk_size=`du -sh "$vdisk_path" | awk '{print $1}' ` echo "### Initial vdisk size: $vm_vdisk_size" -echo "### Filling free space with zeros (this can take several minutes)" -ssh -F vagrant-ssh default "cat /dev/zero > zero.fill; sync; sleep 1; sync; rm -f zero.fill" - -echo "### Halting any running machines" -vagrant halt +#echo "### Filling free space with zeros (this can take several minutes)" +#ssh -F vagrant-ssh default "cat /dev/zero > zero.fill; sync; sleep 1; sync; rm -f zero.fill" +# +#echo "### Halting any running machines" +#vagrant halt echo "### Converting vdisk to vdi format" tmp_vdisk_vdi=tmp.vdi diff --git a/playbook.yml b/playbook.yml index 43c863c..5de386e 100644 --- a/playbook.yml +++ b/playbook.yml @@ -25,7 +25,7 @@ vars: - release_notes: true - release_notes_vm_user: "{{ vm_user }}" - - run_tests: true + - run_tests: false - clean: false - root_user: root - cloud_platform: virtualbox @@ -89,8 +89,10 @@ #vars: # cp2k_installation_route: "apt" # Wannier90 3.0 bundled with QE - #- role: marvel-nccr.wannier90 - # tags: wannier90 + - role: marvel-nccr.wannier90 + tags: wannier90 + - role: marvel-nccr.wannier_tools + tags: wannier_tools - role: marvel-nccr.bigdft tags: bigdft - role: marvel-nccr.aiidalab @@ -110,3 +112,8 @@ aiida_computer_cpus: "{{ vm_cpus }}" aiida_computer_scheduler: "{{ vm_scheduler }}" aiida_examples_folder: "{{ vm_examples_folder }}" + aiida_components: + - computers + - plugins + - pseudopotentials + - examples diff --git a/requirements.yml b/requirements.yml index a4a4b2d..15cb9d8 100644 --- a/requirements.yml +++ b/requirements.yml @@ -10,9 +10,9 @@ - src: marvel-nccr.simulationbase version: v1.0.5 - src: marvel-nccr.ubuntu_desktop - version: v1.0.1 + version: v1.0.3 - src: marvel-nccr.quantum_mobile_customizations - version: v1.0.5 + version: v1.0.6 - src: marvel-nccr.editors version: v1.0.1 - src: marvel-nccr.slurm @@ -24,14 +24,16 @@ - src: marvel-nccr.fleur version: v1.0.2 - src: marvel-nccr.siesta - version: v1.0.1 + version: v1.0.3 - src: marvel-nccr.cp2k version: v1.1.1 - src: marvel-nccr.bigdft version: v1.0.0 - src: marvel-nccr.wannier90 + version: v1.1.1 +- src: marvel-nccr.wannier_tools version: v1.0.0 - src: marvel-nccr.aiida - version: v2.1.3 + version: v2.1.4 - src: marvel-nccr.aiidalab - version: v1.1.0 + version: v1.1.1 From 5f94e69797766791c1d30772f26747c256ab0df2 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Sun, 8 Mar 2020 21:54:21 +0100 Subject: [PATCH 11/12] update vbox version in install instructions --- INSTALL.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/INSTALL.md b/INSTALL.md index 658888e..b4ff66b 100644 --- a/INSTALL.md +++ b/INSTALL.md @@ -6,7 +6,7 @@ Get Quantum Mobile running on your computer in three simple steps: https://object.cscs.ch/v1/AUTH_b1d80408b3d340db9f03d373bbde5c1e/marvel-vms/${fname} Filename: `${fname}` MD5 hash: `${vm_image_md5}` - 2. Install Virtual Box 6.0.0 or later + 2. Install Virtual Box 6.1.4 or later www.virtualbox.org 3. Import virtual machine image into Virtualbox (${vm_vdisk_size}) File => Import Appliance From f58ceba7a9f092daeca1e6a2a19b3a5cbcb18672 Mon Sep 17 00:00:00 2001 From: Leopold Talirz Date: Mon, 16 Mar 2020 11:38:21 +0100 Subject: [PATCH 12/12] role updates for 20.03.0 release --- CHANGELOG.md | 6 +++--- compact_hd.sh | 10 +++++----- playbook.yml | 2 +- requirements.yml | 14 +++++++------- 4 files changed, 16 insertions(+), 16 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 73febe7..4c52a4d 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -4,6 +4,8 @@ ### Improvements * add WannierTools +* add bigdft 1.9.0 +* add aiida-bigdft v0.1.0a0 ### Build process * ansible 2.9.5 @@ -20,12 +22,12 @@ * aiida v1.1.0 * aiida-yambo 1.0 * aiidalab v20.2.0b2 + * aiida-wannier90 v2.0.0 ## Quantum Mobile v19.12.0 ### Improvements * first Quantum Mobile release with AiiDA 1.0 -* add BigDFT + AiiDA plugin ### Software updates * Ubuntu 18.04.3 LTS @@ -34,12 +36,10 @@ * aiida-quantumespresso v3.0.0a5 * aiida-siesta v1.0.0 * aiida-fleur v1.0.0a0 - * aiida-bigdft v0.1.0a0 * aiidalab v19.11.0a2 * yambo 4.4 * QE 6.5 with EPW and Wannier90 * fleur 0.30 MaxR4 -* bigdft 1.9.0 ## Quantum Mobile v19.09.0 diff --git a/compact_hd.sh b/compact_hd.sh index 7ca529a..c5d3b88 100755 --- a/compact_hd.sh +++ b/compact_hd.sh @@ -19,11 +19,11 @@ vdisk_uuid=${BASH_REMATCH[1]} vm_vdisk_size=`du -sh "$vdisk_path" | awk '{print $1}' ` echo "### Initial vdisk size: $vm_vdisk_size" -#echo "### Filling free space with zeros (this can take several minutes)" -#ssh -F vagrant-ssh default "cat /dev/zero > zero.fill; sync; sleep 1; sync; rm -f zero.fill" -# -#echo "### Halting any running machines" -#vagrant halt +echo "### Filling free space with zeros (this can take several minutes)" +ssh -F vagrant-ssh default "cat /dev/zero > zero.fill; sync; sleep 1; sync; rm -f zero.fill" + +echo "### Halting any running machines" +vagrant halt echo "### Converting vdisk to vdi format" tmp_vdisk_vdi=tmp.vdi diff --git a/playbook.yml b/playbook.yml index 5de386e..c330b69 100644 --- a/playbook.yml +++ b/playbook.yml @@ -25,7 +25,7 @@ vars: - release_notes: true - release_notes_vm_user: "{{ vm_user }}" - - run_tests: false + - run_tests: true - clean: false - root_user: root - cloud_platform: virtualbox diff --git a/requirements.yml b/requirements.yml index 15cb9d8..3a14e7d 100644 --- a/requirements.yml +++ b/requirements.yml @@ -8,32 +8,32 @@ - src: marvel-nccr.add_user version: v0.2.1 - src: marvel-nccr.simulationbase - version: v1.0.5 + version: v1.0.6 - src: marvel-nccr.ubuntu_desktop - version: v1.0.3 + version: v1.0.4 - src: marvel-nccr.quantum_mobile_customizations version: v1.0.6 - src: marvel-nccr.editors - version: v1.0.1 + version: v1.0.2 - src: marvel-nccr.slurm version: v1.0.0 - src: marvel-nccr.quantum_espresso - version: v1.1.2 + version: v1.1.3 - src: marvel-nccr.yambo version: v1.1.0 - src: marvel-nccr.fleur version: v1.0.2 - src: marvel-nccr.siesta - version: v1.0.3 + version: v1.0.4 - src: marvel-nccr.cp2k version: v1.1.1 - src: marvel-nccr.bigdft version: v1.0.0 - src: marvel-nccr.wannier90 - version: v1.1.1 + version: v1.1.2 - src: marvel-nccr.wannier_tools version: v1.0.0 - src: marvel-nccr.aiida - version: v2.1.4 + version: v2.1.6 - src: marvel-nccr.aiidalab version: v1.1.1