moving project meta and packages search to pyproject.toml

pyproject.toml

@@ -0,0 +1,36 @@
+[project]
+name = "pymol"
+readme = "README.md"
+requires-python = ">=3.9"
+license = {file = "LICENSE"}
+description = """
+PyMOL is a Python-enhanced molecular graphics tool.
+It excels at 3D visualization of proteins, small molecules, density,
+surfaces, and trajectories. It also includes molecular editing,
+ray tracing, and movies. Open Source PyMOL is free to everyone!
+"""
+dynamic=["version"]
+authors = [
+  {name = "Schrodinger", email = "[email protected]"},
+]
+
+[project.scripts]
+pymol = "pymol:__main__"
+
+[build-system]
+requires = ["setuptools>=61.0", "numpy>=1.26.4"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools.packages.find]
+where = ["modules"]
+
+[tool.setuptools.package-data]
+"pmg_qt" = ["forms/*.ui"]
+
+[project.urls]
+Homepage = "https://pymol.org"
+Documentation = "https://pymol.org/dokuwiki"
+Repository = "https://github.com/schrodinger/pymol-open-source"
+"Bug Tracker" = "https://github.com/schrodinger/pymol-open-source/issues"
+Changelog = "https://github.com/schrodinger/pymol-open-source/blob/master/ChangeLog"
+

setup.py

@@ -17,6 +17,13 @@
 from distutils.util import change_root
 
 import create_shadertext
+import monkeypatch_distutils
+
+# Important: import 'distutils.command' modules after monkeypatch_distutils
+from distutils.command.build_ext import build_ext
+from distutils.command.build_py import build_py
+from distutils.command.install import install
+
 
 # non-empty DEBUG variable turns off optimization and adds -g flag
 DEBUG = bool(os.getenv('DEBUG', ''))
@@ -72,7 +79,6 @@ class options:
     sys.argv.append("--help")
 
 if True:
-    import monkeypatch_distutils
     monkeypatch_distutils.set_parallel_jobs(options.jobs)
 
 
@@ -137,11 +143,6 @@ def guess_msgpackc():
     return 'no'
 
 
-# Important: import 'distutils.command' modules after monkeypatch_distutils
-from distutils.command.build_ext import build_ext
-from distutils.command.build_py import build_py
-from distutils.command.install import install
-
 class build_ext_pymol(build_ext):
     def initialize_options(self):
         build_ext.initialize_options(self)
@@ -511,22 +512,6 @@ def get_sources(subdirs, suffixes=('.c', '.cpp')):
     return sorted([f for d in subdirs for s in suffixes for f in glob.glob(d + '/*' + s)])
 
 
-def get_packages(base, parent='', r=None):
-    from os.path import join, exists
-    if r is None:
-        r = []
-    if parent:
-        r.append(parent)
-    for name in os.listdir(join(base, parent)):
-        if '.' not in name and exists(join(base, parent, name, '__init__.py')):
-            get_packages(base, join(parent, name), r)
-    return r
-
-
-package_dir = dict((x, os.path.join(base, x))
-                   for base in ['modules']
-                   for x in get_packages(base))
-
 ext_modules += [
     Extension("pymol._cmd",
               get_sources(pymol_src_dirs),
@@ -551,20 +536,6 @@ def get_packages(base, parent='', r=None):
         'build_py': build_py_pymol,
         'install': install_pymol,
     },
-    name="pymol",
     version=get_pymol_version(),
-    author="Schrodinger",
-    url="http://pymol.org",
-    contact="[email protected]",
-    description=("PyMOL is a Python-enhanced molecular graphics tool. "
-                 "It excels at 3D visualization of proteins, small molecules, density, "
-                 "surfaces, and trajectories. It also includes molecular editing, "
-                 "ray tracing, and movies. Open Source PyMOL is free to everyone!"),
-
-    package_dir=package_dir,
-    packages=list(package_dir),
-    package_data={'pmg_qt': ['forms/*.ui']},
-
     ext_modules=ext_modules,
-    data_files=data_files,
 )