Merge pull request #14 from HideyoshiNakazone/chore/updates-project-structure

chore: updates pyproject structure

poetry.lock

@@ -1,4 +1,4 @@
-# This file is automatically @generated by Poetry 1.8.3 and should not be changed by hand.
+# This file is automatically @generated by Poetry 2.3.2 and should not be changed by hand.
 
 [[package]]
 name = "argparse"
@@ -6,6 +6,7 @@ version = "1.4.0"
 description = "Python command-line parsing library"
 optional = false
 python-versions = "*"
+groups = ["main"]
 files = [
     {file = "argparse-1.4.0-py2.py3-none-any.whl", hash = "sha256:c31647edb69fd3d465a847ea3157d37bed1f95f19760b11a47aa91c04b666314"},
     {file = "argparse-1.4.0.tar.gz", hash = "sha256:62b089a55be1d8949cd2bc7e0df0bddb9e028faefc8c32038cc84862aefdd6e4"},
@@ -17,6 +18,7 @@ version = "24.4.2"
 description = "The uncompromising code formatter."
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "black-24.4.2-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:dd1b5a14e417189db4c7b64a6540f31730713d173f0b63e55fabd52d61d8fdce"},
     {file = "black-24.4.2-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:8e537d281831ad0e71007dcdcbe50a71470b978c453fa41ce77186bbe0ed6021"},
@@ -53,7 +55,7 @@ typing-extensions = {version = ">=4.0.1", markers = "python_version < \"3.11\""}
 
 [package.extras]
 colorama = ["colorama (>=0.4.3)"]
-d = ["aiohttp (>=3.7.4)", "aiohttp (>=3.7.4,!=3.9.0)"]
+d = ["aiohttp (>=3.7.4) ; sys_platform != \"win32\" or implementation_name != \"pypy\"", "aiohttp (>=3.7.4,!=3.9.0) ; sys_platform == \"win32\" and implementation_name == \"pypy\""]
 jupyter = ["ipython (>=7.8.0)", "tokenize-rt (>=3.2.0)"]
 uvloop = ["uvloop (>=0.15.2)"]
 
@@ -63,6 +65,7 @@ version = "3.4.0"
 description = "Validate configuration and produce human readable error messages."
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "cfgv-3.4.0-py2.py3-none-any.whl", hash = "sha256:b7265b1f29fd3316bfcd2b330d63d024f2bfd8bcb8b0272f8e19a504856c48f9"},
     {file = "cfgv-3.4.0.tar.gz", hash = "sha256:e52591d4c5f5dead8e0f673fb16db7949d2cfb3f7da4582893288f0ded8fe560"},
@@ -74,6 +77,7 @@ version = "8.1.7"
 description = "Composable command line interface toolkit"
 optional = false
 python-versions = ">=3.7"
+groups = ["dev"]
 files = [
     {file = "click-8.1.7-py3-none-any.whl", hash = "sha256:ae74fb96c20a0277a1d615f1e4d73c8414f5a98db8b799a7931d1582f3390c28"},
     {file = "click-8.1.7.tar.gz", hash = "sha256:ca9853ad459e787e2192211578cc907e7594e294c7ccc834310722b41b9ca6de"},
@@ -88,6 +92,8 @@ version = "0.4.6"
 description = "Cross-platform colored terminal text."
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
+groups = ["dev"]
+markers = "platform_system == \"Windows\""
 files = [
     {file = "colorama-0.4.6-py2.py3-none-any.whl", hash = "sha256:4f1d9991f5acc0ca119f9d443620b77f9d6b33703e51011c16baf57afb285fc6"},
     {file = "colorama-0.4.6.tar.gz", hash = "sha256:08695f5cb7ed6e0531a20572697297273c47b8cae5a63ffc6d6ed5c201be6e44"},
@@ -99,6 +105,7 @@ version = "7.6.0"
 description = "Code coverage measurement for Python"
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "coverage-7.6.0-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:dff044f661f59dace805eedb4a7404c573b6ff0cdba4a524141bc63d7be5c7fd"},
     {file = "coverage-7.6.0-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:a8659fd33ee9e6ca03950cfdcdf271d645cf681609153f218826dd9805ab585c"},
@@ -155,7 +162,7 @@ files = [
 ]
 
 [package.extras]
-toml = ["tomli"]
+toml = ["tomli ; python_full_version <= \"3.11.0a6\""]
 
 [[package]]
 name = "distlib"
@@ -163,6 +170,7 @@ version = "0.3.8"
 description = "Distribution utilities"
 optional = false
 python-versions = "*"
+groups = ["dev"]
 files = [
     {file = "distlib-0.3.8-py2.py3-none-any.whl", hash = "sha256:034db59a0b96f8ca18035f36290806a9a6e6bd9d1ff91e45a7f172eb17e51784"},
     {file = "distlib-0.3.8.tar.gz", hash = "sha256:1530ea13e350031b6312d8580ddb6b27a104275a31106523b8f123787f494f64"},
@@ -174,6 +182,7 @@ version = "3.15.4"
 description = "A platform independent file lock."
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "filelock-3.15.4-py3-none-any.whl", hash = "sha256:6ca1fffae96225dab4c6eaf1c4f4f28cd2568d3ec2a44e15a08520504de468e7"},
     {file = "filelock-3.15.4.tar.gz", hash = "sha256:2207938cbc1844345cb01a5a95524dae30f0ce089eba5b00378295a17e3e90cb"},
@@ -182,7 +191,7 @@ files = [
 [package.extras]
 docs = ["furo (>=2023.9.10)", "sphinx (>=7.2.6)", "sphinx-autodoc-typehints (>=1.25.2)"]
 testing = ["covdefaults (>=2.3)", "coverage (>=7.3.2)", "diff-cover (>=8.0.1)", "pytest (>=7.4.3)", "pytest-asyncio (>=0.21)", "pytest-cov (>=4.1)", "pytest-mock (>=3.12)", "pytest-timeout (>=2.2)", "virtualenv (>=20.26.2)"]
-typing = ["typing-extensions (>=4.8)"]
+typing = ["typing-extensions (>=4.8) ; python_version < \"3.11\""]
 
 [[package]]
 name = "identify"
@@ -190,6 +199,7 @@ version = "2.6.0"
 description = "File identification library for Python"
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "identify-2.6.0-py2.py3-none-any.whl", hash = "sha256:e79ae4406387a9d300332b5fd366d8994f1525e8414984e1a59e058b2eda2dd0"},
     {file = "identify-2.6.0.tar.gz", hash = "sha256:cb171c685bdc31bcc4c1734698736a7d5b6c8bf2e0c15117f4d469c8640ae5cf"},
@@ -204,6 +214,7 @@ version = "5.13.2"
 description = "A Python utility / library to sort Python imports."
 optional = false
 python-versions = ">=3.8.0"
+groups = ["dev"]
 files = [
     {file = "isort-5.13.2-py3-none-any.whl", hash = "sha256:8ca5e72a8d85860d5a3fa69b8745237f2939afe12dbf656afbcb47fe72d947a6"},
     {file = "isort-5.13.2.tar.gz", hash = "sha256:48fdfcb9face5d58a4f6dde2e72a1fb8dcaf8ab26f95ab49fab84c2ddefb0109"},
@@ -218,6 +229,7 @@ version = "1.0.0"
 description = "Type system extensions for programs checked with the mypy type checker."
 optional = false
 python-versions = ">=3.5"
+groups = ["dev"]
 files = [
     {file = "mypy_extensions-1.0.0-py3-none-any.whl", hash = "sha256:4392f6c0eb8a5668a69e23d168ffa70f0be9ccfd32b5cc2d26a34ae5b844552d"},
     {file = "mypy_extensions-1.0.0.tar.gz", hash = "sha256:75dbf8955dc00442a438fc4d0666508a9a97b6bd41aa2f0ffe9d2f2725af0782"},
@@ -229,6 +241,7 @@ version = "1.9.1"
 description = "Node.js virtual environment builder"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
+groups = ["dev"]
 files = [
     {file = "nodeenv-1.9.1-py2.py3-none-any.whl", hash = "sha256:ba11c9782d29c27c70ffbdda2d7415098754709be8a7056d79a737cd901155c9"},
     {file = "nodeenv-1.9.1.tar.gz", hash = "sha256:6ec12890a2dab7946721edbfbcd91f3319c6ccc9aec47be7c7e6b7011ee6645f"},
@@ -240,6 +253,7 @@ version = "2.5.0"
 description = "Type hints for NumPy."
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
 files = [
     {file = "nptyping-2.5.0-py3-none-any.whl", hash = "sha256:764e51836faae33a7ae2e928af574cfb701355647accadcc89f2ad793630b7c8"},
     {file = "nptyping-2.5.0.tar.gz", hash = "sha256:e3d35b53af967e6fb407c3016ff9abae954d3a0568f7cc13a461084224e8e20a"},
@@ -251,10 +265,10 @@ typing-extensions = {version = ">=4.0.0,<5.0.0", markers = "python_version < \"3
 
 [package.extras]
 build = ["invoke (>=1.6.0)", "pip-tools (>=6.5.0)"]
-complete = ["pandas", "pandas-stubs-fork"]
+complete = ["pandas", "pandas-stubs-fork ; python_version >= \"3.8\""]
-dev = ["autoflake", "beartype (<0.10.0)", "beartype (>=0.10.0)", "black", "codecov (>=2.1.0)", "coverage", "feedparser", "invoke (>=1.6.0)", "isort", "mypy", "pandas", "pandas-stubs-fork", "pip-tools (>=6.5.0)", "pylint", "pyright", "setuptools", "typeguard", "wheel"]
+dev = ["autoflake", "beartype (<0.10.0) ; python_version < \"3.10\"", "beartype (>=0.10.0) ; python_version >= \"3.10\"", "black", "codecov (>=2.1.0)", "coverage", "feedparser", "invoke (>=1.6.0)", "isort", "mypy", "pandas", "pandas-stubs-fork ; python_version >= \"3.8\"", "pip-tools (>=6.5.0)", "pylint", "pyright", "setuptools", "typeguard", "wheel"]
-pandas = ["pandas", "pandas-stubs-fork"]
+pandas = ["pandas", "pandas-stubs-fork ; python_version >= \"3.8\""]
-qa = ["autoflake", "beartype (<0.10.0)", "beartype (>=0.10.0)", "black", "codecov (>=2.1.0)", "coverage", "feedparser", "isort", "mypy", "pylint", "pyright", "setuptools", "typeguard", "wheel"]
+qa = ["autoflake", "beartype (<0.10.0) ; python_version < \"3.10\"", "beartype (>=0.10.0) ; python_version >= \"3.10\"", "black", "codecov (>=2.1.0)", "coverage", "feedparser", "isort", "mypy", "pylint", "pyright", "setuptools", "typeguard", "wheel"]
 
 [[package]]
 name = "numpy"
@@ -262,6 +276,7 @@ version = "1.26.4"
 description = "Fundamental package for array computing in Python"
 optional = false
 python-versions = ">=3.9"
+groups = ["main"]
 files = [
     {file = "numpy-1.26.4-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:9ff0f4f29c51e2803569d7a51c2304de5554655a60c5d776e35b4a41413830d0"},
     {file = "numpy-1.26.4-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:2e4ee3380d6de9c9ec04745830fd9e2eccb3e6cf790d39d7b98ffd19b0dd754a"},
@@ -307,6 +322,7 @@ version = "24.1"
 description = "Core utilities for Python packages"
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "packaging-24.1-py3-none-any.whl", hash = "sha256:5b8f2217dbdbd2f7f384c41c628544e6d52f2d0f53c6d0c3ea61aa5d1d7ff124"},
     {file = "packaging-24.1.tar.gz", hash = "sha256:026ed72c8ed3fcce5bf8950572258698927fd1dbda10a5e981cdf0ac37f4f002"},
@@ -318,6 +334,7 @@ version = "0.2.1"
 description = "Bring colors to your terminal."
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
+groups = ["dev"]
 files = [
     {file = "pastel-0.2.1-py2.py3-none-any.whl", hash = "sha256:4349225fcdf6c2bb34d483e523475de5bb04a5c10ef711263452cb37d7dd4364"},
     {file = "pastel-0.2.1.tar.gz", hash = "sha256:e6581ac04e973cac858828c6202c1e1e81fee1dc7de7683f3e1ffe0bfd8a573d"},
@@ -329,6 +346,7 @@ version = "0.12.1"
 description = "Utility library for gitignore style pattern matching of file paths."
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "pathspec-0.12.1-py3-none-any.whl", hash = "sha256:a0d503e138a4c123b27490a4f7beda6a01c6f288df0e4a8b79c7eb0dc7b4cc08"},
     {file = "pathspec-0.12.1.tar.gz", hash = "sha256:a482d51503a1ab33b1c67a6c3813a26953dbdc71c31dacaef9a838c4e29f5712"},
@@ -340,6 +358,7 @@ version = "4.2.2"
 description = "A small Python package for determining appropriate platform-specific dirs, e.g. a `user data dir`."
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "platformdirs-4.2.2-py3-none-any.whl", hash = "sha256:2d7a1657e36a80ea911db832a8a6ece5ee53d8de21edd5cc5879af6530b1bfee"},
     {file = "platformdirs-4.2.2.tar.gz", hash = "sha256:38b7b51f512eed9e84a22788b4bce1de17c0adb134d6becb09836e37d8654cd3"},
@@ -356,6 +375,7 @@ version = "0.27.0"
 description = "A task runner that works well with poetry."
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
 files = [
     {file = "poethepoet-0.27.0-py3-none-any.whl", hash = "sha256:0032d980a623b96e26dc7450ae200b0998be523f27d297d799b97510fe252a24"},
     {file = "poethepoet-0.27.0.tar.gz", hash = "sha256:907ab4dc1bc6326be5a3b10d2aa39d1acc0ca12024317d9506fbe9c0cdc912c9"},
@@ -374,6 +394,7 @@ version = "3.7.1"
 description = "A framework for managing and maintaining multi-language pre-commit hooks."
 optional = false
 python-versions = ">=3.9"
+groups = ["dev"]
 files = [
     {file = "pre_commit-3.7.1-py2.py3-none-any.whl", hash = "sha256:fae36fd1d7ad7d6a5a1c0b0d5adb2ed1a3bda5a21bf6c3e5372073d7a11cd4c5"},
     {file = "pre_commit-3.7.1.tar.gz", hash = "sha256:8ca3ad567bc78a4972a3f1a477e94a79d4597e8140a6e0b651c5e33899c3654a"},
@@ -392,6 +413,7 @@ version = "6.0.1"
 description = "YAML parser and emitter for Python"
 optional = false
 python-versions = ">=3.6"
+groups = ["main", "dev"]
 files = [
     {file = "PyYAML-6.0.1-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:d858aa552c999bc8a8d57426ed01e40bef403cd8ccdd0fc5f6f04a00414cac2a"},
     {file = "PyYAML-6.0.1-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:fd66fc5d0da6d9815ba2cebeb4205f95818ff4b79c3ebe268e75d961704af52f"},
@@ -452,6 +474,7 @@ version = "1.3.3"
 description = "A Python module to customize the process title"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
 files = [
     {file = "setproctitle-1.3.3-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:897a73208da48db41e687225f355ce993167079eda1260ba5e13c4e53be7f754"},
     {file = "setproctitle-1.3.3-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:8c331e91a14ba4076f88c29c777ad6b58639530ed5b24b5564b5ed2fd7a95452"},
@@ -552,6 +575,7 @@ version = "2.0.1"
 description = "A lil' TOML parser"
 optional = false
 python-versions = ">=3.7"
+groups = ["dev"]
 files = [
     {file = "tomli-2.0.1-py3-none-any.whl", hash = "sha256:939de3e7a6161af0c887ef91b7d41a53e7c5a1ca976325f429cb46ea9bc30ecc"},
     {file = "tomli-2.0.1.tar.gz", hash = "sha256:de526c12914f0c550d15924c62d72abc48d6fe7364aa87328337a31007fe8a4f"},
@@ -563,10 +587,12 @@ version = "4.12.2"
 description = "Backported and Experimental Type Hints for Python 3.8+"
 optional = false
 python-versions = ">=3.8"
+groups = ["main", "dev"]
 files = [
     {file = "typing_extensions-4.12.2-py3-none-any.whl", hash = "sha256:04e5ca0351e0f3f85c6853954072df659d0d13fac324d0072316b67d7794700d"},
     {file = "typing_extensions-4.12.2.tar.gz", hash = "sha256:1a7ead55c7e559dd4dee8856e3a88b41225abfe1ce8df57b7c13915fe121ffb8"},
 ]
+markers = {main = "python_version == \"3.9\"", dev = "python_version < \"3.11\""}
 
 [[package]]
 name = "virtualenv"
@@ -574,6 +600,7 @@ version = "20.26.3"
 description = "Virtual Python Environment builder"
 optional = false
 python-versions = ">=3.7"
+groups = ["dev"]
 files = [
     {file = "virtualenv-20.26.3-py3-none-any.whl", hash = "sha256:8cc4a31139e796e9a7de2cd5cf2489de1217193116a8fd42328f1bd65f434589"},
     {file = "virtualenv-20.26.3.tar.gz", hash = "sha256:4c43a2a236279d9ea36a0d76f98d84bd6ca94ac4e0f4a3b9d46d05e10fea542a"},
@@ -586,9 +613,9 @@ platformdirs = ">=3.9.1,<5"
 
 [package.extras]
 docs = ["furo (>=2023.7.26)", "proselint (>=0.13)", "sphinx (>=7.1.2,!=7.3)", "sphinx-argparse (>=0.4)", "sphinxcontrib-towncrier (>=0.2.1a0)", "towncrier (>=23.6)"]
-test = ["covdefaults (>=2.3)", "coverage (>=7.2.7)", "coverage-enable-subprocess (>=1)", "flaky (>=3.7)", "packaging (>=23.1)", "pytest (>=7.4)", "pytest-env (>=0.8.2)", "pytest-freezer (>=0.4.8)", "pytest-mock (>=3.11.1)", "pytest-randomly (>=3.12)", "pytest-timeout (>=2.1)", "setuptools (>=68)", "time-machine (>=2.10)"]
+test = ["covdefaults (>=2.3)", "coverage (>=7.2.7)", "coverage-enable-subprocess (>=1)", "flaky (>=3.7)", "packaging (>=23.1)", "pytest (>=7.4)", "pytest-env (>=0.8.2)", "pytest-freezer (>=0.4.8) ; platform_python_implementation == \"PyPy\" or platform_python_implementation == \"CPython\" and sys_platform == \"win32\" and python_version >= \"3.13\"", "pytest-mock (>=3.11.1)", "pytest-randomly (>=3.12)", "pytest-timeout (>=2.1)", "setuptools (>=68)", "time-machine (>=2.10) ; platform_python_implementation == \"CPython\""]
 
 [metadata]
-lock-version = "2.0"
+lock-version = "2.1"
-python-versions = ">=3.9,<4.0"
+python-versions = ">=3.9"
-content-hash = "80ecbda1b826475e5eef19c940136c907a9687c7f4a6a0577a65ddd9b8a3343b"
+content-hash = "f1adb46e996bb9ce175110b2924da21fb8d5b7e2818dc981fca266ea95d51d3d"

pyproject.toml

@@ -1,21 +1,29 @@
-[tool.poetry]
+[project]
 name = "diceplayer"
-version = "0.0.0"
+description = "Python Program for Molecular Optimization in Non-Vacuum Mediums"
-description = ""
+authors = [
-authors = ["Vitor Hideyoshi <vitor.h.n.batista@gmail.com>", "Herbert Georg <hcgeorg@ufg.br>"]
+    { name = "Vitor Hideyoshi", email = "vitor.h.n.batista@gmail.com" },
-license = "GPL-2.0-only"
+    { name = "Herbert Georg", email = "hcgeorg@ufg.br" }
+]
 readme = "README.md"
+license = "GPL-2.0-only"
+scripts = { diceplayer = "diceplayer.__main__:main" }
+requires-python = ">=3.9"
+dynamic = ["version", "dependencies"]
+
+
+# Poetry configuration
+[tool.poetry]
+version = "0.0.0"
+
 
 [tool.poetry.dependencies]
-python = ">=3.9,<4.0"
 numpy = "^1.26.4"
 argparse = "^1.4.0"
 setproctitle = "^1.3.2"
 pyyaml = "^6.0"
 nptyping = "^2.5.0"
 
-[tool.poetry.scripts]
-diceplayer = "diceplayer.__main__:main"
 
 [tool.poetry.group.dev.dependencies]
 coverage = "^7.2.7"
@@ -24,6 +32,8 @@ black = "^24.4.2"
 pre-commit = "^3.7.1"
 poethepoet = "^0.27.0"
 
+
+# Build system
 [tool.poetry-dynamic-versioning]
 enable = true
 vcs = "git"
@@ -32,6 +42,8 @@ vcs = "git"
 requires = ["poetry-core"]
 build-backend = "poetry_dynamic_versioning.backend"
 
+
+# Development tools
 [tool.poe.tasks]
 hooks = "pre-commit install --config .pre-commit-config.yaml"