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update aiidalab app dependencies #25

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36 changes: 3 additions & 33 deletions defaults/main.yml
Original file line number Diff line number Diff line change
Expand Up @@ -15,33 +15,11 @@ aiidalab_jupyter_port: 8888
aiidalab_apps:
- name: home
github_repo: aiidalab/aiidalab-home
version: v21.02.0
requirements_aiida:
# https://github.com/aiidalab/aiidalab-home/issues/51
- aiidalab~=21.4.1
- ipython
- ipywidgets
- jinja2
- markdown
- traitlets
version: v21.09.0

- name: aiidalab-widgets-base
github_repo: aiidalab/aiidalab-widgets-base
version: v1.0.0b15
requirements_aiida:
# https://github.com/aiidalab/aiidalab-widgets-base/blob/v1.0.0b14/metadata.json
- aiida-core>=1.0.0,<2.0.0
- aiidalab-widgets-base
- ase
- bokeh
- fileupload
- ipywidgets
- more-itertools
- nglview
- numpy
- optimade-client
- pandas
- scikit-learn
version: v1.0.0rc4
# these are optional for SMILES, but they cannot be installed via pip
# - openbabel
# - rdkit
Expand All @@ -58,15 +36,7 @@ aiidalab_apps:

- name: quantum-espresso
github_repo: aiidalab/aiidalab-qe
version: v20.12.0
requirements_aiida:
- aiida-quantumespresso
- aiidalab-widgets-base
- ase
- nglview # is this really needed, its imported in aiidalab/quantum-espresso/structures.py but not actually used?
- ipython
- ipywidgets
- traitlets
version: v21.08.0b4
requirements_jupyter:
# https://github.com/aiidalab/aiidalab-qe/blob/master/jupyter-config/nbconfig/notebook.d/aiidalab.json
- bqplot
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2 changes: 1 addition & 1 deletion tasks/apps.yml
Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@

- name: install server-side (aiida) dependencies
pip:
name: "{{ aiidalab_apps | rejectattr('requirements_aiida', 'undefined') | map(attribute='requirements_aiida') | flatten | sort | unique }}"
name: "{{ aiidalab_apps_folder }}/{{ app.name }}"
virtualenv: "{{ aiidalab_aiida_venv }}"
extra_args: "-c {{ aiidalab_aiida_venv_constraints }}"

Expand Down