Update to support Pkg version spec

aiidaplugins · Dec 19, 2024 · f9d32de · f9d32de
1 parent 5fe4977
commit f9d32de
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Showing 2 changed files with 6 additions and 5 deletions.
diff --git a/src/aiida_dftk/calculations.py b/src/aiida_dftk/calculations.py
@@ -12,8 +12,7 @@
 from pymatgen.core import units
 
 
-_AIIDA_DFTK_MIN_VERSION = "0.1.9" # inclusive
-_AIIDA_DFTK_MAX_VERSION = "0.2" # exclusive
+_AIIDA_DFTK_VERSION_SPEC = "0.1.9"
 
 
 class DftkCalculation(CalcJob):
@@ -241,8 +240,10 @@ def prepare_for_submission(self, folder):
         cmdline_params = [
             # Precompilation under MPI generally deadlocks. Make sure everything is already precompiled.
             '--compiled-modules=strict',
-            '-e', f'using AiidaDFTK; AiidaDFTK.run(; min_version=v"{_AIIDA_DFTK_MIN_VERSION}", max_version=v"{_AIIDA_DFTK_MAX_VERSION}")',
-            self.metadata.options.input_filename
+            '-e', 'using AiidaDFTK; AiidaDFTK.run("{}"; allowed_versions="{}")'.format(
+                self.metadata.options.input_filename,
+                _AIIDA_DFTK_VERSION_SPEC,
+            ),
         ]
 
         # prepare retrieve list

diff --git a/tests/conftest.py b/tests/conftest.py
@@ -20,7 +20,7 @@ def pytest_sessionstart():
 AiidaDFTK = "26386dbc-b74b-4d9a-b75a-41d28ada84fc"
 
 [compat]
-AiidaDFTK = "{aiida_dftk.calculations._AIIDA_DFTK_MIN_VERSION}"
+AiidaDFTK = "{aiida_dftk.calculations._AIIDA_DFTK_VERSION_SPEC}"
 """)
 
     # Pkg.Registry.add() seems necessary for GitHub Actions