orto 1.0.5__py3-none-any.whl → 1.0.6__py3-none-any.whl

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Files changed (7) hide show
  1. orto/__version__.py +1 -1
  2. orto/input.py +8 -8
  3. {orto-1.0.5.dist-info → orto-1.0.6.dist-info}/METADATA +1 -1
  4. {orto-1.0.5.dist-info → orto-1.0.6.dist-info}/RECORD +7 -7
  5. {orto-1.0.5.dist-info → orto-1.0.6.dist-info}/WHEEL +0 -0
  6. {orto-1.0.5.dist-info → orto-1.0.6.dist-info}/entry_points.txt +0 -0
  7. {orto-1.0.5.dist-info → orto-1.0.6.dist-info}/top_level.txt +0 -0
orto/__version__.py CHANGED
@@ -1 +1 @@
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- __version__ = '1.0.5'
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+ __version__ = '1.0.6'
orto/input.py CHANGED
@@ -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(
{orto-1.0.5.dist-info → orto-1.0.6.dist-info}/METADATA RENAMED
@@ -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
{orto-1.0.5.dist-info → orto-1.0.6.dist-info}/RECORD RENAMED
@@ -1,15 +1,15 @@
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  orto/__init__.py,sha256=IedlltYr3qYZxChNUdz62qogXA9Pos_MUvXdGXqAa0E,41
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- orto/__version__.py,sha256=A2hyo7so0ekhMgLqX7oCoQZq9eN8grvMFanPPMDXD7w,22
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+ orto/__version__.py,sha256=iNeZ6LZ9iCV_ugsqAh5K1fFqbKkfU8o3NbLYBWI3m1I,22
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  orto/cli.py,sha256=S05ypFp4NEv1ZVaa4xTSz_oTrAeVwpL1rd8qNRviz8A,61349
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  orto/constants.py,sha256=2obWYg306Lce4U9Qs4MHg1yZq7SHFkazG-cnkD5svpo,343
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  orto/exceptions.py,sha256=D7oNeAEGeJNt5thzt6PaCn5FY6JcbJOWUE1N1LVhhuE,159
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  orto/extractor.py,sha256=tO2oFf6Cgwdnh_m1v8r1rXQO2_FL7s-1KBqLPy6zNco,67384
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- orto/input.py,sha256=cVhApyjCbqIDA0uRGqmt3UwKEn7djPjSWob70Ghg9fw,7060
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+ orto/input.py,sha256=DGWG0IQ_QS9RCm4BlgFPyt4_WW6Tz9k2Mybwd1O9SJo,7003
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  orto/job.py,sha256=SM0nlc_bqhhPvfuuykhMvaUnkwC3Gp-6RvYw_a0TyGc,5855
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  orto/plotter.py,sha256=ICrO03T_HGe-H1XKZ2qzsKYdPY44E0PKiXqIQQawd7I,15633
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  orto/utils.py,sha256=gVfGplkfc6xGYgLMi_7I_yAdWG-QKRaqQdy9v5F4Mck,7279
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- orto-1.0.5.dist-info/METADATA,sha256=eiqYg-889V2vaRfAufsj5HCBhgVmVjIu_U9u4PUR5n0,1140
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- orto-1.0.5.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- orto-1.0.5.dist-info/entry_points.txt,sha256=HXenCglMp_03JkN34pK2phkjXK9CFcXTGHKv5QaVY8I,39
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- orto-1.0.5.dist-info/top_level.txt,sha256=hQ-z28gTN_FZ2B5Kiwxr_9cUTcCoib9W5HjbkceDXw4,5
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- orto-1.0.5.dist-info/RECORD,,
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+ orto-1.0.6.dist-info/METADATA,sha256=CxH6biskRO90R3ezsXOGAQiViTuYV0uRWnoTQ6PrnYw,1140
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+ orto-1.0.6.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ orto-1.0.6.dist-info/entry_points.txt,sha256=HXenCglMp_03JkN34pK2phkjXK9CFcXTGHKv5QaVY8I,39
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+ orto-1.0.6.dist-info/top_level.txt,sha256=hQ-z28gTN_FZ2B5Kiwxr_9cUTcCoib9W5HjbkceDXw4,5
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+ orto-1.0.6.dist-info/RECORD,,
{orto-1.0.5.dist-info → orto-1.0.6.dist-info}/WHEEL RENAMED
File without changes