diff --git a/pyproject.toml b/pyproject.toml index 12e1d6e..8509393 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,5 +1,5 @@ [build-system] -requires = ["setuptools"] +requires = ["setuptools>=61.0.0", "setuptools-scm>=8.0"] build-backend = "setuptools.build_meta" [project] @@ -7,15 +7,24 @@ 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 = [ @@ -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 @@ -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'] diff --git a/simulationparsers/magres b/simulationparsers/magres index 636a7a4..bd75368 160000 --- a/simulationparsers/magres +++ b/simulationparsers/magres @@ -1 +1 @@ -Subproject commit 636a7a44a21f76012d49f316dc6f49b831d46915 +Subproject commit bd753686a35f2c59160c4aabd2bbea12f27a42e8 diff --git a/simulationparsers/wannier90 b/simulationparsers/wannier90 index 57d1e72..077857f 160000 --- a/simulationparsers/wannier90 +++ b/simulationparsers/wannier90 @@ -1 +1 @@ -Subproject commit 57d1e7253adc1a9c00c1f383e408262475776ce2 +Subproject commit 077857fef09d97d63603acf2ad1629665f46dc64