bump to use qe 7.2 from conda-forge (#404)

From QE 7.2, the conda-forge support ARM64 architecture.
aiidalab · May 29, 2023 · f311cc5 · f311cc5
1 parent d6d028e
commit f311cc5
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Showing 3 changed files with 5 additions and 5 deletions.
diff --git a/aiidalab_qe/parameters/qeapp.yaml b/aiidalab_qe/parameters/qeapp.yaml
@@ -7,9 +7,9 @@ run_bands: false
 run_pdos: false
 
 ## Codes
-dos_code: dos-7.0@localhost
-projwfc_code: projwfc-7.0@localhost
-pw_code: pw-7.0@localhost
+dos_code: dos-7.2@localhost
+projwfc_code: projwfc-7.2@localhost
+pw_code: pw-7.2@localhost
 
 ## Material settings
 spin_type: none

diff --git a/aiidalab_qe/setup_codes.py b/aiidalab_qe/setup_codes.py
@@ -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 = "7.0"
+QE_VERSION = "7.2"
 
 CONDA_ENV_PREFIX = Path.home().joinpath(
     ".conda", "envs", f"quantum-espresso-{QE_VERSION}"

diff --git a/aiidalab_qe/steps.py b/aiidalab_qe/steps.py
@@ -528,7 +528,7 @@ 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-7.0@localhost") and triggers both the
+        # expected labels (e.g. "pw-7.2@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()