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kmlefran committed Sep 13, 2023
1 parent 59df2e4 commit ea20398
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Showing 2 changed files with 5 additions and 5 deletions.
4 changes: 1 addition & 3 deletions aiida_aimall/calculations.py
Original file line number Diff line number Diff line change
Expand Up @@ -101,8 +101,7 @@ def prepare_for_submission(self, folder):


class GaussianWFXCalculation(CalcJob):
"""
AiiDA calculation plugin wrapping Gaussian
"""AiiDA calculation plugin wrapping Gaussian
Template:
Expand All @@ -122,7 +121,6 @@ class GaussianWFXCalculation(CalcJob):
'opt': 'tight',
},
})
"""

# Defaults
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6 changes: 4 additions & 2 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -46,7 +46,9 @@ docs = [
"sphinxcontrib-contentui",
"sphinxcontrib-details-directive",
"furo",
"markupsafe<2.1"
"markupsafe<2.1",
"pandas",
"numpy"
]

[project.entry-points."aiida.data"]
Expand Down Expand Up @@ -105,7 +107,7 @@ envlist = py38
[testenv]
usedevelop=True
[testenv:py{37,38,39,310}]
[testenv:py{37,38,39,310,311}]
description = Run the test suite against a python version
extras = testing
commands = pytest {posargs}
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