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[patch] use ImportAlarm from pyiron_snippets #193

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May 31, 2024
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1 change: 1 addition & 0 deletions .ci_support/environment.yml
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@ dependencies:
- molmod =1.4.8
- numpy =1.26.4
- pyiron_atomistics =0.5.4
- pyiron_snippets =0.1.0
- quickff =2.2.4
- tamkin =1.2.6
- yaff =1.6.0
3 changes: 2 additions & 1 deletion pyiron_gpl/gaussian/gaussian.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,9 @@
import matplotlib.pyplot as pt

from pyiron_atomistics.dft.job.generic import GenericDFTJob
from pyiron_base import GenericParameters, ImportAlarm
from pyiron_base import GenericParameters
from pyiron_atomistics.atomistics.structure.atoms import Atoms
from pyiron_snippets.import_alarm import ImportAlarm

try:
from molmod.io.fchk import FCHKFile
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1 change: 1 addition & 0 deletions setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -31,6 +31,7 @@
'molmod==1.4.8',
'numpy==1.26.4',
'pyiron_atomistics==0.5.4',
'pyiron_snippets==0.1.0',
'quickff==2.2.4',
'tamkin==1.2.6',
'yaff==1.6.0'
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