Replace setup.py with more modern pyproject.toml

pyproject.toml

@@ -1,20 +1,65 @@
-[tool.pylint.format]
-max-line-length = 125
-
-[tool.pylint.messages_control]
-disable = [
-    "too-many-ancestors",
-    "invalid-name",
-    "duplicate-code",
-    "too-many-locals",
-    "too-many-statements",
+[build-system]
+requires = ["flit_core >=3.2,<4"]
+build-backend = "flit_core.buildapi"
+
+[tool.flit.module]
+name = "aiida_flexpart"
+
+[project]
+name = "aiida-flexpart"
+version = "0.1.0a0"
+readme = "README.md"
+license = {file = 'LICENSE'}
+description = "AiiDA plugin for the FLEXPART code (simulation of atmospheric transport processes)."
+classifiers = [
+    "Intended Audience :: Science/Research",
+    "License :: OSI Approved :: MIT License",
+    "Natural Language :: English",
+    "Framework :: AiiDA",
+    "Development Status :: 3 - Alpha",
+    "Topic :: Scientific/Engineering :: Atmospheric Science",
+    "Programming Language :: Python :: 3",
+
 ]
+requires-python = ">=3.9"
+dependencies = [
+    "aiida-core>=1.6.5,<3.0.0",
+    "six",
+    "psycopg2-binary<2.9",
+    "voluptuous",
+    "jinja2",
+]
+
+[[project.authors]]
+name = ""
+
+[project.urls]
+Homepage = "https://github.com/aiidaplugins/aiida-flexpart"
 
-[tool.pytest.ini_options]
-python_files = "test_*.py example_*.py"
-filterwarnings = [
-    "ignore::DeprecationWarning:aiida:",
-    "ignore::DeprecationWarning:plumpy:",
-    "ignore::DeprecationWarning:django:",
-    "ignore::DeprecationWarning:yaml:",
+[project.optional-dependencies]
+dev = [
+    "pgtest~=1.3.1",
+    "pytest~=6.0",
+    "pytest-cov",
+    "pre-commit~=2.2",
 ]
+
+docs = [
+    "sphinx",
+    "sphinxcontrib-contentui",
+    "sphinxcontrib-details-directive",
+    "sphinx-rtd-theme",
+]
+
+[project.entry-points."aiida.calculations"]
+"flexpart.cosmo" = "aiida_flexpart.calculations.flexpart_cosmo:FlexpartCosmoCalculation"
+"flexpart.ifs" = "aiida_flexpart.calculations.flexpart_ifs:FlexpartIfsCalculation"
+"flexpart.post" = "aiida_flexpart.calculations.flexpart_post:PostProcessingCalculation"
+
+[project.entry-points."aiida.parsers"]
+"flexpart.cosmo" = "aiida_flexpart.parsers.flexpart_cosmo:FlexpartCosmoParser"
+"flexpart.ifs" = "aiida_flexpart.parsers.flexpart_ifs:FlexpartIfsParser"
+"flexpart.post" = "aiida_flexpart.parsers.flexpart_post:FlexpartPostParser"
+
+[project.entry-points."aiida.workflows"]
+"flexpart.multi_dates" = "aiida_flexpart.workflows.multi_dates_workflow:FlexpartMultipleDatesWorkflow"