Fix imports

src/aiidalab_qe/__main__.py

@@ -5,10 +5,6 @@
 
 import click
 
-from aiida import load_profile
-from aiidalab_qe.setup.setup_codes import codes_are_setup
-from aiidalab_qe.setup.setup_codes import install as install_qe_codes
-
 # The default profile name of AiiDAlab container.
 _DEFAULT_PROFILE = "default"
 
@@ -22,9 +18,12 @@ def cli():
 @click.option("-f", "--force", is_flag=True)
 @click.option("-p", "--profile", default=_DEFAULT_PROFILE)
 def install_qe(force, profile):
+    from aiida import load_profile
+    from aiidalab_qe.setup.setup_codes import codes_are_setup, install
+
     load_profile(profile)
     try:
-        for msg in install_qe_codes(force=force):
+        for msg in install(force=force):
             click.echo(msg)
         assert codes_are_setup()
         click.secho("Codes are setup!", fg="green")
@@ -45,7 +44,8 @@ def install_pseudos(profile, source):
     """Install pseudopotentials from a local folder if source is specified,
     otherwise download from remote repositories.
     """
-    from aiidalab_qe.common.setup_pseudos import install
+    from aiida import load_profile
+    from aiidalab_qe.setup.setup_pseudos import install
 
     load_profile(profile)
 
@@ -90,9 +90,11 @@ def download_pseudos(dest):
 )
 @click.option("-p", "--profile", default=_DEFAULT_PROFILE)
 def test_plugin(plugin_name, profile):
-    load_profile(profile)
+    from aiida import load_profile
     from aiidalab_qe.app.utils import test_plugin_functionality
 
+    load_profile(profile)
+
     try:
         success, message = test_plugin_functionality(plugin_name)
         if success:

src/aiidalab_qe/app/configuration/advanced.py

@@ -18,8 +18,8 @@
 from aiida_quantumespresso.workflows.pw.base import PwBaseWorkChain
 from aiidalab_qe.app.parameters import DEFAULT_PARAMETERS
 from aiidalab_qe.common.panel import Panel
-from aiidalab_qe.common.setup_pseudos import PseudoFamily
 from aiidalab_qe.common.widgets import HubbardWidget
+from aiidalab_qe.setup.setup_pseudos import PseudoFamily
 
 from .pseudos import PseudoFamilySelector, PseudoSetter
 

src/aiidalab_qe/app/configuration/pseudos.py

@@ -11,7 +11,7 @@
 from aiida.plugins import DataFactory, GroupFactory
 from aiida_quantumespresso.workflows.pw.base import PwBaseWorkChain
 from aiidalab_qe.app.parameters import DEFAULT_PARAMETERS
-from aiidalab_qe.common.setup_pseudos import (
+from aiidalab_qe.setup.setup_pseudos import (
     PSEUDODOJO_VERSION,
     SSSP_VERSION,
     PseudoFamily,

tests/conftest.py

@@ -5,7 +5,7 @@
 import tempfile
 
 import pytest
-from aiidalab_qe.common.setup_pseudos import SSSP_VERSION
+from aiidalab_qe.setup.setup_pseudos import SSSP_VERSION
 
 from aiida import orm
 

tests/test_cli.py

@@ -24,7 +24,7 @@ def test_download_and_install_pseudos(tmp_path, aiida_profile, monkeypatch):
 
     Note: this test is slow, it takes about ~30 seconds to run.
     """
-    from aiidalab_qe.common.setup_pseudos import (
+    from aiidalab_qe.setup.setup_pseudos import (
         PSEUDODOJO_VERSION,
         SSSP_VERSION,
         pseudos_to_install,
@@ -39,7 +39,7 @@ def test_download_and_install_pseudos(tmp_path, aiida_profile, monkeypatch):
     }
     # mock the EXPECTED_PSEUDOS
     monkeypatch.setattr(
-        "aiidalab_qe.common.setup_pseudos.EXPECTED_PSEUDOS",
+        "aiidalab_qe.setup.setup_pseudos.EXPECTED_PSEUDOS",
         MOCK_EXPECTED_PSEUDOS,
     )
 

tests/test_configure.py

@@ -1,4 +1,4 @@
-from aiidalab_qe.common.setup_pseudos import PSEUDODOJO_VERSION, SSSP_VERSION
+from aiidalab_qe.setup.setup_pseudos import PSEUDODOJO_VERSION, SSSP_VERSION
 
 
 def test_protocol():

tests/test_pseudo.py

@@ -1,5 +1,5 @@
 import pytest
-from aiidalab_qe.common.setup_pseudos import (
+from aiidalab_qe.setup.setup_pseudos import (
     PSEUDODOJO_VERSION,
     SSSP_VERSION,
     _construct_cmd,