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Allow profile selection ipython magic %aiida #4071

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merged 5 commits into from
May 14, 2020
Merged

Allow profile selection ipython magic %aiida #4071

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f7c0e46
Allow ipython magic to select profile
zhubonan May 14, 2020
b17671a
Merge remote-tracking branch 'origin/develop' into ipython-profile
zhubonan May 14, 2020
0b5c617
Update the profile name retrieval
zhubonan May 14, 2020
d78cfec
Updated the documentation
zhubonan May 14, 2020
49912dc
Tweak for the documentation
zhubonan May 14, 2020
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9 changes: 7 additions & 2 deletions aiida/tools/ipython/ipython_magics.py
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Original file line number Diff line number Diff line change
Expand Up @@ -81,8 +81,13 @@ def aiida(self, line='', local_ns=None):
from aiida.cmdline.utils.shell import get_start_namespace

self.is_warning = False
load_profile()
self.current_state = 'Loaded AiiDA DB environment.'
lcontent = line.strip()
if lcontent:
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profile = load_profile(lcontent)
else:
profile = load_profile()

self.current_state = 'Loaded AiiDA DB environment - profile name: {}.'.format(profile.name)

user_ns = get_start_namespace()
for key, value in user_ns.items():
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5 changes: 3 additions & 2 deletions docs/source/install/configuration.rst
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Expand Up @@ -135,7 +135,8 @@ The current ipython profile folder can be located using::

After this, if you open a Jupyter notebook as explained above and type in a cell::

%aiida
%aiida <profile_name>

followed by ``Shift-Enter``. You should receive the message "Loaded AiiDA DB environment."
followed by ``Shift-Enter``. The ``<profile_name>`` argument is optional, and the line magic selects the default profile if it is omitted.
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You should receive the message "Loaded AiiDA DB environment - profile name: <profile_name>."
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This line magic should also be enabled in standard ipython shells.