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 -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;