Update pyproject.toml

pyproject.toml

@@ -1,43 +1,51 @@
 [tool.poetry]
-name = "whiscy"
-version = "1.2.0"
-description = "WHISCY is a software that predicts protein-protein interfaces using conservation and structural information by calculating prediction scores for each surface residue based on sequence alignment."
-authors = ["Bonvin Lab <[email protected]>"]
+name = "arctic3d"
+license = "Apache-2.0"
+version = "0.4.1"
+description = "Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information"
+authors = ["BonvinLab <[email protected]>"]
 readme = "README.md"
 classifiers = [
   "Development Status :: 5 - Production/Stable",
   "License :: OSI Approved :: Apache Software License",
-  "Operating System :: Unix",
-  "Programming Language :: Python :: 3.11",
+  "Programming Language :: Python :: 3.9",
+  "Topic :: Scientific/Engineering :: Chemistry",
   "Topic :: Scientific/Engineering :: Bio-Informatics",
   "Intended Audience :: Science/Research",
 ]
 
 [tool.poetry.dependencies]
-python = "^3.11"
-biopython = "1.79"
-
-[tool.poetry.group.dev.dependencies]
-pytest = "^8.1.1"
-coverage = "^7.4.4"
-pytest-cov = "^5.0.0"
-hypothesis = "^6.100.1"
+python = ">=3.9,<3.12"
+bio = "1.6.2"
+defusedxml = "0.7.1"
+lxml = "5.2.0"
+mdanalysis = "2.7.0"
+requests = "2.31.0"
+biopython = "1.83"
+scipy = "1.12.0"
+matplotlib = "3.8.2"
+pdb-tools = "2.5.0"
+pandas = "2.2.1"
+openpyxl = "3.1.2"
+plotly = "5.19.0"
+pdbecif = "1.5"
+jsonpickle = "3.0.3"
+kaleido = "0.2.1"
 
 [tool.poetry.scripts]
-whiscy = "whiscy.cli:main"
-whiscy_setup = "whiscy.cli_setup:main"
-whiscy_consadjust = "whiscy.cli_consadjust:main"
-whiscy_parasmooth = "whiscy.cli_parasmooth:main"
-whiscy_resdist = "whiscy.cli_resdist:main"
-whiscy_bfactor = "whiscy.cli_bfactor:main"
-whiscy_haddock = "whiscy.cli_haddock:main"
+arctic3d = "arctic3d.cli:maincli"
+arctic3d-resclust = "arctic3d.cli_resclust:maincli"
+arctic3d-localise = "arctic3d.cli_localise:maincli"
+arctic3d-restraints = "arctic3d.cli_restraints:maincli"
 
-[tool.setuptools]
-include-package-data = true
-packages = ["src"]
+[tool.poetry.group.dev.dependencies]
+pytest = "^8.1.0"
+pytest-cov = "^5.0.0"
+coverage = "^7.4.3"
+hypothesis = "^6.100.0"
 
-[tool.pytest.ini_options]
-pythonpath = ["src"]
+[tool.black]
+line-length = 79
 
 [build-system]
 requires = ["poetry-core"]