From 6a342938a52f70aac193c6400f6bb9a316a8db06 Mon Sep 17 00:00:00 2001
From: Lein Matsumaru <applePrincess@applePrincess.io>
Date: Sat, 26 Jul 2025 08:54:54 +0000
Subject: [PATCH] python3Packages.pyscf: 2.9.0 -> 2.10.0

---
 .../pyscf/coerce-numpy-to-int.patch           | 19 -------------------
 .../python-modules/pyscf/default.nix          | 10 ++--------
 2 files changed, 2 insertions(+), 27 deletions(-)
 delete mode 100644 pkgs/development/python-modules/pyscf/coerce-numpy-to-int.patch

diff --git a/pkgs/development/python-modules/pyscf/coerce-numpy-to-int.patch b/pkgs/development/python-modules/pyscf/coerce-numpy-to-int.patch
deleted file mode 100644
index 140e6d77b1f0..000000000000
--- a/pkgs/development/python-modules/pyscf/coerce-numpy-to-int.patch
+++ /dev/null
@@ -1,19 +0,0 @@
-commit 6df405512d33d432bb45553ddcffbc70edec51f6
-Author: Lein Matsumaru <applePrincess@applePrincess.io>
-Date:   Sun Jun 29 12:59:57 2025 +0000
-
-    Coerce int
-
-diff --git a/pyscf/ci/gcisd.py b/pyscf/ci/gcisd.py
-index d58e0364c..050f83962 100644
---- a/pyscf/ci/gcisd.py
-+++ b/pyscf/ci/gcisd.py
-@@ -197,7 +197,7 @@ def from_fcivec(ci0, nelec, orbspin, frozen=None):
-              numpy.count_nonzero(orbspin[:nelec] == 1))
-     ucisdvec = ucisd.from_fcivec(ci0, norb//2, nelec, frozen)
-     nocc = numpy.count_nonzero(~frozen_mask[:sum(nelec)])
--    return from_ucisdvec(ucisdvec, nocc, orbspin[~frozen_mask])
-+    return from_ucisdvec(ucisdvec, int(nocc), orbspin[~frozen_mask])
- 
- 
- def make_rdm1(myci, civec=None, nmo=None, nocc=None, ao_repr=False):
diff --git a/pkgs/development/python-modules/pyscf/default.nix b/pkgs/development/python-modules/pyscf/default.nix
index 5818570a0030..4454ebb72fda 100644
--- a/pkgs/development/python-modules/pyscf/default.nix
+++ b/pkgs/development/python-modules/pyscf/default.nix
@@ -24,22 +24,16 @@
 
 buildPythonPackage rec {
   pname = "pyscf";
-  version = "2.9.0";
+  version = "2.10.0";
   format = "setuptools";
 
   src = fetchFromGitHub {
     owner = "pyscf";
     repo = "pyscf";
     tag = "v${version}";
-    hash = "sha256-UTeZXlNuSWDOcBRVbUUWJ3mQnZZQr17aTw6rRA5DRNI=";
+    hash = "sha256-lFYSWCe5THlivpBB6nFBR2zfCIKJ0YJeuY2rCKoXUq8=";
   };
 
-  patches = [
-    # Converts numpy.int64 to int where necessary.
-    # Upstream issue: https://github.com/pyscf/pyscf/issues/2878
-    ./coerce-numpy-to-int.patch
-  ];
-
   # setup.py calls Cmake and passes the arguments in CMAKE_CONFIGURE_ARGS to cmake.
   build-system = [ cmake ];
   dontUseCmakeConfigure = true;