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👌 IMPROVE: Use /tmp folder for psuedo downloads
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It is unneccessary for these to persist,
once they have been uploaded into the AiiDA database
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chrisjsewell committed Mar 18, 2021
1 parent b8fcc78 commit cbb17a5
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Showing 4 changed files with 8 additions and 7 deletions.
1 change: 1 addition & 0 deletions defaults/main.yml
Original file line number Diff line number Diff line change
Expand Up @@ -5,6 +5,7 @@ aiida_extras:
- rest
- docs
- atomic_tools
aiida_temp_folder: "/tmp"
aiida_data_folder: "${HOME}/.local/share/aiida"
aiida_templates_folder: "${HOME}/.local/share/aiida"
aiida_source_folder: "${HOME}/src"
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10 changes: 5 additions & 5 deletions tasks/aiida-pps-oncv.yml
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Expand Up @@ -3,15 +3,15 @@
become: true
become_user: "{{ root_user }}"
file:
path: "{{ aiida_data_folder | regex_replace('\\$\\{HOME}', current_user_home) }}/{{ pp.folder }}"
path: "{{ aiida_temp_folder | regex_replace('\\$\\{HOME}', current_user_home) }}/{{ pp.folder }}"
state: directory

- name: "Unpack {{ pp.file }}"
become: true
become_user: "{{ root_user }}"
unarchive:
src: "{{ aiida_pp_download.dest }}"
dest: "{{ aiida_data_folder }}/{{ pp.folder }}"
dest: "{{ aiida_temp_folder }}/{{ pp.folder }}"
remote_src: true
register: oncv_extract

Expand All @@ -20,17 +20,17 @@
become_user: "{{ root_user }}"
copy:
src: oncv-select-pps.sh
dest: "{{ aiida_data_folder }}/{{ pp.folder }}"
dest: "{{ aiida_temp_folder }}/{{ pp.folder }}"
when: oncv_extract.changed

- name: run script to select pseudos
become: true
become_user: "{{ root_user }}"
shell: bash oncv-select-pps.sh
args:
chdir: "{{ aiida_data_folder }}/{{ pp.folder }}"
chdir: "{{ aiida_temp_folder }}/{{ pp.folder }}"
when: oncv_extract.changed

- name: Add upf family
shell: "{{ aiida_venv }}/bin/verdi data upf uploadfamily {{ aiida_data_folder }}/{{ pp.folder }} {{ pp.name }} '{{ pp.description }}'"
shell: "{{ aiida_venv }}/bin/verdi data upf uploadfamily {{ aiida_temp_folder }}/{{ pp.folder }} {{ pp.name }} '{{ pp.description }}'"
when: oncv_extract.changed
2 changes: 1 addition & 1 deletion tasks/aiida-pps-sssp.yml
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@@ -1,2 +1,2 @@
- name: Import {{ pp.file }} # noqa 301
shell: "{{ aiida_venv }}/bin/verdi import -n {{ aiida_data_folder }}/{{ pp.file }}"
shell: "{{ aiida_venv }}/bin/verdi import -n {{ aiida_temp_folder }}/{{ pp.file }}"
2 changes: 1 addition & 1 deletion tasks/aiida-pps.yml
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Expand Up @@ -5,7 +5,7 @@
tags: aiida_pps
get_url:
url: "{{ pp.url }}"
dest: "{{ aiida_data_folder }}/{{ pp.file }}"
dest: "{{ aiida_temp_folder }}/{{ pp.file }}"
mode: "u+r"
register: aiida_pp_download
until: not aiida_pp_download.failed
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