orto 1.0.5__tar.gz → 1.0.6__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: orto
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- Version: 1.0.5
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+ Version: 1.0.6
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  Summary: A package to make life easier when performing Orca calculations.
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  Home-page: https://orto.kragskow.group
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  Author: Jon Kragskow
@@ -0,0 +1 @@
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+ __version__ = '1.0.6'
@@ -45,17 +45,17 @@ def get_nprocs(file_name: str | Path) -> int:
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  )
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  # Check for PALX in simple input
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- if 'pal' in simple[0].lower():
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- # and extract nprocs if found
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- _palprocs = re.findall(
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- r'PAL(\d+)',
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- simple[0],
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- flags=re.IGNORECASE)
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+ pal_simple = re.findall(
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+ r'PAL(\d+)',
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+ simple[0],
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+ flags=re.IGNORECASE
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+ )
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+ if len(pal_simple):
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  # Set to zero if not found
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- if _palprocs is None:
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+ if pal_simple is None:
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  _palprocs = 0
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  else:
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- _palprocs = int(_palprocs[0])
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+ _palprocs = int(pal_simple[0])
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  # check if power of 2
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  if not np.log2(_palprocs).is_integer():
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  ut.red_exit(
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: orto
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- Version: 1.0.5
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+ Version: 1.0.6
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  Summary: A package to make life easier when performing Orca calculations.
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  Home-page: https://orto.kragskow.group
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  Author: Jon Kragskow
@@ -8,7 +8,7 @@ Please see the `orto` documentation for more details.
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  # DO NOT EDIT THIS NUMBER!
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  # IT IS AUTOMATICALLY CHANGED BY python-semantic-release
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- __version__ = '1.0.5'
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+ __version__ = '1.0.6'
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  setuptools.setup(
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  name='orto',
@@ -1 +0,0 @@
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- __version__ = '1.0.5'
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