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decouple aiida plugins from presence of code
fix #65 The installation of plugins is no longer coupled to the local presence of a code (only the installation of the local code is). The aiida role now has a new variable `aiida_plugin_versions` which can be used to specify which plugins should be installed (be default all are).
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8 files changed

+55
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roles/aiida/defaults/main.yml

Lines changed: 30 additions & 27 deletions
Original file line numberDiff line numberDiff line change
@@ -16,33 +16,36 @@ aiida_postgres_user: aiida
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aiida_venv: "{{ ansible_env.HOME }}/.virtualenvs/aiida"
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# plugins
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aiida_quantumespresso_version: "2.0.0"
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aiida_fleur_version: "0.6.0"
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aiida_siesta_version: "0.11.5"
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aiida_cp2k_version: "0.9.0"
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aiida_yambo_version: "0.2.5"
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aiida_wannier90_version: "1.0.0"
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aiida_plugin_versions:
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aiida_quantumespresso: "2.0.0"
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aiida_fleur: "0.6.0"
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aiida_siesta: "0.11.5"
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aiida_cp2k: "0.9.0"
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aiida_yambo: "0.2.5"
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aiida_wannier90: "1.0.0"
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aiida_plugins: "{{ aiida_plugin_versions.keys() }}"
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# pseudos
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aiida_pseudopotentials:
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- name: sssp-pbe-efficiency
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file: SSSP_efficiency_pseudos.aiida
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url: http://archive.materialscloud.org/file/2018.0001/v1
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home_page: http://materialscloud.org/sssp/
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description: >-
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Standard Solid State Pseudopotentials (efficiency)
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for the PBE functional
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- name: sssp-pbe-accuracy
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file: SSSP_accuracy_pseudos.aiida
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url: http://archive.materialscloud.org/file/2018.0001/v1
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home_page: http://materialscloud.org/sssp/
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description: >-
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Standard Solid State Pseudopotentials (accuracy)
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for the PBE functional
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- name: sg15-oncv-1.1
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file: sg15_oncv_upf_2015-10-07.tar.gz
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url: http://www.quantum-simulation.org/potentials/sg15_oncv
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folder: sg15-oncv-1.1
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home_page: http://www.quantum-simulation.org/potentials/sg15_oncv/
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description: >-
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SG15 Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials
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- name: sssp-pbe-efficiency
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file: SSSP_efficiency_pseudos.aiida
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url: http://archive.materialscloud.org/file/2018.0001/v1
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home_page: http://materialscloud.org/sssp/
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description: >-
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Standard Solid State Pseudopotentials (efficiency)
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for the PBE functional
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- name: sssp-pbe-accuracy
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file: SSSP_accuracy_pseudos.aiida
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url: http://archive.materialscloud.org/file/2018.0001/v1
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home_page: http://materialscloud.org/sssp/
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description: >-
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Standard Solid State Pseudopotentials (accuracy)
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for the PBE functional
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- name: sg15-oncv-1.1
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file: sg15_oncv_upf_2015-10-07.tar.gz
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url: http://www.quantum-simulation.org/potentials/sg15_oncv
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folder: sg15-oncv-1.1
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home_page: http://www.quantum-simulation.org/potentials/sg15_oncv/
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description: >-
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SG15 Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials

roles/aiida/tasks/aiida-cp2k.yml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -17,6 +17,7 @@
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- aiida_code_name: "cp2k-{{cp2k_version}}"
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- aiida_code_template: cp2k.code
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- aiida_computer_name: "{{ aiida_localhost_name }}"
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when: cp2k_executables is defined
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- import_role:
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name: release_notes
@@ -25,5 +26,4 @@
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option: aiida-cp2k
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value: >-
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aiida-cp2k {{ aiida_cp2k_version }} is installed.
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See 'verdi code list' for available codes.
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when: release_notes is defined and release_notes

roles/aiida/tasks/aiida-fleur.yml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -39,6 +39,7 @@
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- aiida_code_name: "fleur-{{fleur_version}}-{{code}}"
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- aiida_code_template: fleur.code
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- aiida_computer_name: "{{ aiida_localhost_name }}"
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when: fleur_executables is defined
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- import_role:
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name: release_notes
@@ -47,5 +48,4 @@
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option: aiida-fleur
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value: >-
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aiida-fleur {{ aiida_fleur_version }} is installed.
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See 'verdi code list' for available codes.
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when: release_notes is defined and release_notes

roles/aiida/tasks/aiida-quantumespresso.yml

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -17,6 +17,7 @@
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- aiida_code_name: "qe-{{code}}-{{quantum_espresso_version}}"
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- aiida_code_template: qe.code
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- aiida_computer_name: "{{ aiida_localhost_name }}"
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when: quantum_espresso_executables is defined
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- import_role:
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name: release_notes
@@ -25,6 +26,4 @@
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option: "aiida-quantumespresso"
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value: >-
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aiida-quantumespresso {{ aiida_quantumespresso_version }} is installed.
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A number of codes are already installed and preconfigured.
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See 'verdi code list'
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when: release_notes is defined and release_notes

roles/aiida/tasks/aiida-siesta.yml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -17,6 +17,7 @@
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- aiida_code_name: "siesta-{{siesta_version}}"
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- aiida_code_template: siesta.code
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- aiida_computer_name: "{{ aiida_localhost_name }}"
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when: siesta_executables is defined
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- import_role:
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name: release_notes
@@ -25,5 +26,4 @@
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option: aiida-siesta
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value: >-
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aiida-siesta {{ aiida_siesta_version }} is installed.
28-
See 'verdi code list' for available codes.
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when: release_notes is defined and release_notes

roles/aiida/tasks/aiida-wannier90.yml

Lines changed: 2 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -13,12 +13,12 @@
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- name: set up Wannier90 codes for localhost
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include_tasks: code-setup.yml code={{ item.execname }}
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with_items: "{{ wannier90_executables }}"
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# Only Wannier90.x has a plugin for AiiDA yet
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when: items.execname == "wannier90.x"
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vars:
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- aiida_code_name: "wannier90-{{wannier90_version}}"
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- aiida_code_template: wannier90.code
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- aiida_computer_name: "{{ aiida_localhost_name }}"
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# Only Wannier90.x has a plugin for AiiDA so far
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when: wannier90_executables is defined and items.execname == "wannier90.x"
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- import_role:
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name: release_notes
@@ -27,5 +27,4 @@
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option: aiida-wannier90
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value: >-
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aiida-wannier90 {{ aiida_wannier90_version }} is installed.
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See 'verdi code list' for available codes.
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when: release_notes is defined and release_notes

roles/aiida/tasks/aiida-yambo.yml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -21,6 +21,7 @@
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- aiida_code_name: "{{code}}-{{yambo_version}}"
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- aiida_code_template: yambo.code
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- aiida_computer_name: "{{ aiida_localhost_name }}"
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when: yambo_executables is defined
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- import_role:
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name: release_notes
@@ -29,5 +30,4 @@
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option: aiida-yambo
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value: >-
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aiida-yambo {{ aiida_yambo_version }} is installed.
32-
See 'verdi code list' for available codes.
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when: release_notes is defined and release_notes

roles/aiida/tasks/main.yml

Lines changed: 18 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -9,22 +9,34 @@
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# codes need to come after computers
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- import_tasks: aiida-quantumespresso.yml
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tags: aiida_quantumespresso
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when: quantum_espresso_executables is defined
12+
vars:
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aiida_quantumespresso_version: "{{ aiida_plugin_versions.aiida_quantumespresso }}"
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when: "'aiida_quantumespresso' in aiida_plugins"
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- import_tasks: aiida-yambo.yml
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tags: aiida_yambo
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when: yambo_executables is defined
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vars:
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aiida_yambo_version: "{{ aiida_plugin_versions.aiida_yambo }}"
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when: "'aiida_yambo' in aiida_plugins"
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- import_tasks: aiida-fleur.yml
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tags: aiida_fleur
18-
when: fleur_executables is defined
22+
vars:
23+
aiida_fleur_version: "{{ aiida_plugin_versions.aiida_fleur }}"
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when: "'aiida_fleur' in aiida_plugins"
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- import_tasks: aiida-siesta.yml
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tags: aiida_siesta
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when: siesta_executables is defined
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vars:
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aiida_siesta_version: "{{ aiida_plugin_versions.aiida_siesta }}"
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when: "'aiida_siesta' in aiida_plugins"
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- import_tasks: aiida-cp2k.yml
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tags: aiida_cp2k
24-
when: cp2k_executables is defined
32+
vars:
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aiida_cp2k_version: "{{ aiida_plugin_versions.aiida_cp2k }}"
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when: "'aiida_cp2k' in aiida_plugins"
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- import_tasks: aiida-wannier90.yml
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tags: aiida_wannier90
27-
when: wannier90_executables is defined
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vars:
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aiida_wannier90_version: "{{ aiida_plugin_versions.aiida_wannier90 }}"
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when: "'aiida_wannier90' in aiida_plugins"
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- include_tasks: aiida-pps.yml
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vars:

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