Fix pulp

.github/workflows/ci.yml

@@ -8,7 +8,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: ['3.10', '3.11', '3.12', '3.13', '3.14']
+        python-version: ['3.12', '3.13', '3.14']
 
     steps:
       - uses: actions/checkout@v6
@@ -28,7 +28,7 @@ jobs:
     runs-on: windows-latest
     strategy:
       matrix:
-        python-version: ['3.10', '3.11', '3.12', '3.13', '3.14']
+        python-version: ['3.12', '3.13', '3.14']
 
     steps:
       - uses: actions/checkout@v6
@@ -49,7 +49,7 @@ jobs:
     runs-on: macOS-latest
     strategy:
       matrix:
-        python-version: ['3.11', '3.12', '3.13', '3.14']
+        python-version: ['3.12', '3.13', '3.14']
 
     steps:
       - uses: actions/checkout@v6

README.md

@@ -3,7 +3,7 @@
 
 [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/ipqa-research/ugropy/blob/main/docs/source/tutorial/easy_way.ipynb)
 [![License](https://img.shields.io/badge/License-MIT-blue.svg)](https://tldrlegal.com/license/mit-license)
-![Python 3.10+](https://img.shields.io/badge/Python-3.10%2B-blue)
+![Python 3.12+](https://img.shields.io/badge/Python-3.12%2B-blue)
 [![Docs](https://img.shields.io/badge/docs%20-%20green?style=flat&label=Sphinx&link=https%3A%2F%2Fipqa-research.github.io%2Fugropy%2Findex.html)](https://salvadorbrandolin.github.io/ugropy/)
 [![PyPI
 version](https://badge.fury.io/py/ugropy.svg)](https://badge.fury.io/py/ugropy)
@@ -19,7 +19,7 @@ representation from PubChem. In both cases, `ugropy` uses the
 in the molecule.
 
 
-`ugropy` is tested for `Python` 3.10, 3.11, 3.12, 3.13 and 3.14 on Linux,
+`ugropy` is tested for `Python` 3.12, 3.13 and 3.14 on Linux,
 Windows and Mac OS.
 
 <!-- docs-include-end -->

docs/requirements.txt

@@ -16,6 +16,6 @@ matplotlib
 pytest
 
 thermo >= 0.2.27
-yaeos
+yaeos; sys_platform != "darwin"
 toml
 xpress

docs/source/tutorial/writers.ipynb

@@ -203,17 +203,19 @@
     }
    ],
    "source": [
-    "from yaeos import UNIFACVLE\n",
-    "\n",
-    "from ugropy import unifac\n",
-    "\n",
+    "try:\n",
+    "    from yaeos import UNIFACVLE\n",
+    "except ImportError:\n",
+    "    print(\"yaeos not available on this platform, skipping...\")\n",
+    "else:\n",
+    "    from ugropy import unifac\n",
     "\n",
-    "names = [\"hexane\", \"ethanol\"]\n",
-    "grps = [unifac.get_groups(n) for n in names]\n",
-    "yaeos_groups = [g.subgroups_num for g in grps]\n",
+    "    names = [\"hexane\", \"ethanol\"]\n",
+    "    grps = [unifac.get_groups(n) for n in names]\n",
+    "    yaeos_groups = [g.subgroups_num for g in grps]\n",
     "\n",
-    "GE_yaeos = UNIFACVLE(yaeos_groups)\n",
-    "GE_yaeos.ln_gamma([0.5, 0.5], 60+273.15)"
+    "    GE_yaeos = UNIFACVLE(yaeos_groups)\n",
+    "    GE_yaeos.ln_gamma([0.5, 0.5], 60+273.15)"
    ]
   },
   {
@@ -287,4 +289,4 @@
  },
  "nbformat": 4,
  "nbformat_minor": 2
-}
+}

pyproject.toml

@@ -4,7 +4,7 @@ requires = ["setuptools", "wheel"]
 
 [tool.black]
 line-length = 79
-target-version = ["py310"]
+target-version = ["py312"]
 
 [tool.pytest.ini_options]
 markers = [
@@ -37,7 +37,7 @@ markers = [
 
 [project]
 name = "ugropy"
-version = "3.2.0"
+version = "3.2.5"
 authors = [{name = "Brandolín, Salvador Eduardo", email = "salvadorebrandolin@mi.unc.edu.ar"}]
 license = {text = "The MIT License"}
 readme = "README.md"
@@ -48,9 +48,12 @@ classifiers = [
     "Intended Audience :: Science/Research",
     "License :: OSI Approved :: MIT License",
     "Operating System :: OS Independent",
-    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: 3.13",
+    "Programming Language :: Python :: 3.14",
     "Topic :: Scientific/Engineering",
 ]
+requires-python = ">=3.12"
 
 urls = {Homepage = "https://github.com/ipqa-research/ugropy"}
 
@@ -59,7 +62,7 @@ dependencies = [
     "pandas >= 2.0.3",
     "pubchempy >= 1.0.5",
     "pint >= 0.22",
-    "pulp >= 3.3.2",
+    "pulp[cbc] >= 4.0.0",
     # "pulp >= 2.9.0; sys_platform != 'darwin'",
     # "pulp == 2.9.0; sys_platform == 'darwin'",
 ]

tox.ini

@@ -5,8 +5,6 @@ envlist =
     docstyle,
     check-manifest,
     docs,
-    py310,
-    py311,
     py312,
     py313,
     py314,
@@ -18,9 +16,7 @@ envlist =
 # =============================================================================
 [gh-actions]
 python =
-    3.10: py310, style, docstyle, check-manifest, coverage, docs
-    3.11: py311
-    3.12: py312
+    3.12: py312, style, docstyle, check-manifest, coverage, docs
     3.13: py313
     3.14: py314
 

ugropy/core/ilp_solvers/default_solver.py

@@ -58,7 +58,7 @@ def solve_one_problem(self, not_valid_solutions: List = []) -> List[int]:
         # less elements than the previous ones, otherwise the first one was not
         # optimal.
         if not_valid_solutions:
-            opt = np.sum(np.array(not_valid_solutions[0], dtype=int))
+            opt = int(np.sum(np.array(not_valid_solutions[0], dtype=int)))
 
             if not self.search_nonoptimal:
                 # Do you want to search only optimals solutions?
@@ -71,23 +71,24 @@ def solve_one_problem(self, not_valid_solutions: List = []) -> List[int]:
                 <= pulp.lpSum([solution[i] for i in range(n_frag)]) - 1
             )
 
-        # Solver configuration verbosity
-        solver = pulp.getSolver(self.solver_arguments["solver"], msg=False)
+        # Solver configuration - respect solver_arguments
+        solver_name = self.solver_arguments.get("solver", "COIN_CMD")
+        solver = pulp.getSolver(solver_name, msg=False)
 
         # Solve
-        problem.solve(solver)
+        stats = problem.solve(solver)
 
         # Selected fragments (solution)
-        if pulp.LpStatus[problem.status] == "Optimal":
+        if stats.has_solution:
             selected_subsets = [
                 name
                 for i, name in enumerate(self.overlapped_fragments.keys())
-                if pulp.value(x[i]) == 1
+                if x[i].varValue == 1
             ]
 
             self.selected_fragments.append(selected_subsets)
 
-            return [pulp.value(x[i]) for i in range(n_frag)]
+            return [int(x[i].varValue) for i in range(n_frag)]
         else:
             # No feasible problem
             return None

ugropy/core/ilp_solvers/ilp_solver.py

@@ -96,7 +96,7 @@ def __init__(
 
         if solver_arguments == {}:
             self.solver_arguments = {
-                "solver": "PULP_CBC_CMD",
+                "solver": "COIN_CMD",
             }
         else:
             self.solver_arguments = solver_arguments