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bump conda installed qe version to latest 7.0 #285

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Sep 20, 2022
Merged

bump conda installed qe version to latest 7.0 #285

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6 changes: 3 additions & 3 deletions aiidalab_qe/parameters/qeapp.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -7,9 +7,9 @@ run_bands: false
run_pdos: false

## Codes
dos_code: dos-6.7@localhost
projwfc_code: projwfc-6.7@localhost
pw_code: pw-6.7@localhost
dos_code: dos-7.0@localhost
projwfc_code: projwfc-7.0@localhost
pw_code: pw-7.0@localhost

## Material settings
spin_type: none
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2 changes: 1 addition & 1 deletion aiidalab_qe/setup_codes.py
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Expand Up @@ -19,7 +19,7 @@
FN_LOCKFILE = Path.home().joinpath(".install-qe-on-localhost.lock")
FN_DO_NOT_SETUP = Path.cwd().joinpath(".do-not-setup-on-localhost")

QE_VERSION = "6.7"
QE_VERSION = "7.0"

CONDA_ENV_PREFIX = Path.home().joinpath(
".conda", "envs", f"quantum-espresso-{QE_VERSION}"
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2 changes: 1 addition & 1 deletion aiidalab_qe/steps.py
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Expand Up @@ -523,7 +523,7 @@ def __init__(self, **kwargs):
self.sssp_installation_status.observe(self._toggle_install_widgets, "installed")

# The QE setup widget checks whether there are codes that match specific
# expected labels (e.g. "pw-6.7@localhost") and triggers both the
# expected labels (e.g. "pw-7.0@localhost") and triggers both the
# installation of QE into a dedicated conda environment and the setup of
# the codes in case that they are not already configured.
self.qe_setup_status = QESetupWidget()
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