From d2797c47910903d0772d51466f531c58409b6be2 Mon Sep 17 00:00:00 2001
From: natsukium <tomoya.otabi@gmail.com>
Date: Wed, 22 May 2024 19:03:16 +0900
Subject: [PATCH] python311Packages.openmm: fix installPhase

There was a change in the wrapper installation process in the 8.1.0.
This caused metadata to not be placed in the proper location, and
downstream packages like pdbfixer could not find openmm at build time.
This change replaces the deprecated `setup.py build/install` with modern
modules, `build` and `installer` and fixes the above issue.
---
 .../libraries/science/chemistry/openmm/default.nix       | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/pkgs/development/libraries/science/chemistry/openmm/default.nix b/pkgs/development/libraries/science/chemistry/openmm/default.nix
index d146fa073dc3..723ced8b2a59 100644
--- a/pkgs/development/libraries/science/chemistry/openmm/default.nix
+++ b/pkgs/development/libraries/science/chemistry/openmm/default.nix
@@ -42,6 +42,10 @@ stdenv.mkDerivation rec {
     swig
     doxygen
     python3Packages.python
+  ] ++ lib.optionals enablePython [
+    python3Packages.build
+    python3Packages.installer
+    python3Packages.wheel
   ] ++ lib.optional enableCuda addOpenGLRunpath;
 
   buildInputs = [ fftwSinglePrec ]
@@ -84,9 +88,8 @@ stdenv.mkDerivation rec {
       export OPENMM_LIB_PATH=$out/lib
       export OPENMM_INCLUDE_PATH=$out/include
       cd python
-      ${python3Packages.python.pythonOnBuildForHost.interpreter} setup.py build
-      ${python3Packages.python.pythonOnBuildForHost.interpreter} setup.py install --prefix=$out
-      mv $out/lib/python*/site-packages/OpenMM*.egg/{openmm,simtk} $out/lib/python*/site-packages/.
+      ${python3Packages.python.pythonOnBuildForHost.interpreter} -m build --no-isolation --outdir dist/ --wheel
+      ${python3Packages.python.pythonOnBuildForHost.interpreter} -m installer --prefix $out dist/*.whl
     '';
 
   postFixup = ''