From e94e58143e9c9f18b22a4faa658a9e846223d796 Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Wed, 19 Nov 2025 12:04:13 -0700 Subject: [PATCH 1/2] let setuptools auto detect pkg layout and remove deps --- pyproject.toml | 8 -------- 1 file changed, 8 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index c3c2abb..21218a3 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -32,11 +32,6 @@ urls = {Homepage = "https://github.com/OpenFreeEnergy/Lomap"} keywords = ['alchemical free energy', 'setup', 'perturbation', 'network'] requires-python = ">= 3.9" dependencies = [ - "numpy", - "networkx", - "matplotlib", - "rdkit", - "gufe>=0.9.0", ] dynamic = ["version"] @@ -55,8 +50,5 @@ lomap = "lomap.dbmol:startup" zip-safe = false include-package-data = true -[tool.setuptools.packages] -find = {namespaces = false} - [tool.setuptools_scm] fallback_version = "0.0.0" From f72e368854023833cdfa50ab7ad8ac7acc111b2c Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Wed, 19 Nov 2025 12:12:07 -0700 Subject: [PATCH 2/2] fix 'Pattern 'LICENSE' did not match any files.' warning --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 21218a3..fed1df9 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -12,7 +12,7 @@ readme = "README.md" authors = [{name = "Gaetano Calabro and David Mobley"}] maintainers = [{name = "The Open Free Energy developers", email = "openfreeenergy@omsf.io"}] license = "MIT" -license-files = ["LICENSE"] +license-files = ["LICENSE.txt"] classifiers = [ "Development Status :: 5 - Production/Stable", "Environment :: Console",