Update pyproject.toml

pyproject.toml

@@ -1,51 +1,43 @@
 [tool.poetry]
-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 <bonvinlab.support@uu.nl>"]
+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 <bonvinlab.support@uu.nl>"]
 readme = "README.md"
 classifiers = [
   "Development Status :: 5 - Production/Stable",
   "License :: OSI Approved :: Apache Software License",
-  "Programming Language :: Python :: 3.9",
-  "Topic :: Scientific/Engineering :: Chemistry",
+  "Operating System :: Unix",
+  "Programming Language :: Python :: 3.11",
   "Topic :: Scientific/Engineering :: Bio-Informatics",
   "Intended Audience :: Science/Research",
 ]
 
 [tool.poetry.dependencies]
-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]
-arctic3d = "arctic3d.cli:maincli"
-arctic3d-resclust = "arctic3d.cli_resclust:maincli"
-arctic3d-localise = "arctic3d.cli_localise:maincli"
-arctic3d-restraints = "arctic3d.cli_restraints:maincli"
+python = "^3.11"
+biopython = "1.79"
 
 [tool.poetry.group.dev.dependencies]
-pytest = "^8.1.0"
+pytest = "^8.1.1"
+coverage = "^7.4.4"
 pytest-cov = "^5.0.0"
-coverage = "^7.4.3"
-hypothesis = "^6.100.0"
+hypothesis = "^6.100.1"
+
+[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"
+
+[tool.setuptools]
+include-package-data = true
+packages = ["src"]
 
-[tool.black]
-line-length = 79
+[tool.pytest.ini_options]
+pythonpath = ["src"]
 
 [build-system]
 requires = ["poetry-core"]