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Modified pyprojec.toml
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JosePizarro3 committed May 23, 2024
1 parent 5017688 commit 923b256
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40 changes: 34 additions & 6 deletions pyproject.toml
Original file line number Diff line number Diff line change
@@ -1,21 +1,30 @@
[build-system]
requires = ["setuptools"]
requires = ["setuptools>=61.0.0", "setuptools-scm>=8.0"]
build-backend = "setuptools.build_meta"

[project]
name = 'simulationparsers'
version = '1.1'
description = 'Collection of NOMAD parsers for simulation codes.'
readme = "README.md"
authors = [{ name = "The NOMAD Authors" }]
authors = [
{ name = "Alvin Noe Ladines", email = "alvin.noe.ladines@physik.hu-berlin.de" },
{ name = "Jose M. Pizarro", email = "jose.pizarro@physik.hu-berlin.de" },
]
maintainers = [
{ name = "Alvin Noe Ladines", email = "alvin.noe.ladines@physik.hu-berlin.de" },
{ name = "Jose M. Pizarro", email = "jose.pizarro@physik.hu-berlin.de" },
]
license = { file = "LICENSE" }
requires-python = ">=3.9"
dependencies = [
"nomad-lab>=1.2.0",
"nomad-schema-plugin-run@git+https://github.com/nomad-coe/nomad-schema-plugin-run.git@develop",
]

[project.urls]
homepage = "https://github.com/nomad-coe/simulation-parsers"
"Homepage" = "https://github.com/nomad-coe/simulation-parsers"
"Bug Tracker" = "https://github.com/nomad-coe/simulation-parsers/issues"

[project.optional-dependencies]
dev = [
Expand All @@ -32,16 +41,18 @@ dev = [
where = [
".",
"simulationparsers/abacus",
"simulationparsers/wannier90",
"simulationparsers/magres",
]

[tool.ruff]
include = ["simulationparsers/*.py", "tests/*.py"]
select = [
lint.select = [
"E", # pycodestyle
"W", # pycodestyle
"PL", # pylint
]
ignore = [
lint.ignore = [
"E501", # Line too long ({width} > {limit} characters)
"E701", # Multiple statements on one line (colon)
"E731", # Do not assign a lambda expression, use a def
Expand All @@ -56,7 +67,24 @@ ignore = [
"PLR1714", # consider-using-in
"PLR5501", # else-if-used
]
fixable = ["ALL"]
lint.fixable = ["ALL"]

# Same as Black.
line-length = 88
indent-width = 4

[tool.ruff.format]
# use single quotes for strings.
quote-style = "single"

# indent with spaces, rather than tabs.
indent-style = "space"

# Like Black, respect magic trailing commas.
skip-magic-trailing-comma = false

# Like Black, automatically detect the appropriate line ending.
line-ending = "auto"

[tool.setuptools.package-data]
simulationparsers = ['*/metadata.yaml', '*/README.md']
2 changes: 1 addition & 1 deletion simulationparsers/magres
Submodule magres updated 1 files
+1 −7 nomad.yaml

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