python311Packages.pyscf 0 -> 1
attrpath: python311Packages.pyscf
Checking auto update branch...
[version] 
[version] skipping because derivation has updateScript
[rustCrateVersion] 
[rustCrateVersion] No cargoSha256 or cargoHash found
[golangModuleVersion] 
[golangModuleVersion] Not a buildGoModule package with vendorSha256 or vendorHash
[npmDepsVersion] 
[npmDepsVersion] No npmDepsHash
[updateScript] 
[updateScript] Success
[updateScript] 
Going to be running update for following packages:
 - python3.11-pyscf-2.4.0

Press Enter key to continue...
Running update for:
 - python3.11-pyscf-2.4.0: UPDATING ...
 - python3.11-pyscf-2.4.0: DONE.

Packages updated!

Diff after rewrites:
diff --git a/pkgs/development/python-modules/pyscf/default.nix b/pkgs/development/python-modules/pyscf/default.nix
index 779af5e7f4f8..7b60a47c44c3 100644
--- a/pkgs/development/python-modules/pyscf/default.nix
+++ b/pkgs/development/python-modules/pyscf/default.nix
@@ -15,14 +15,14 @@
 
 buildPythonPackage rec {
   pname = "pyscf";
-  version = "2.4.0";
+  version = "2.5.0";
   format = "setuptools";
 
   src = fetchFromGitHub {
     owner = "pyscf";
     repo = pname;
-    rev = "v${version}";
-    hash = "sha256-+dZsXiLqqyRWr1eOEVSHZ1KMM760hrDaT07ylZUcGmo=";
+    rev = "refs/tags/v${version}";
+    hash = "sha256-UCchzoYsqeIGViewPf4KedmhYktXLmp5Me4lzb1i8p0=";
   };
 
   # setup.py calls Cmake and passes the arguments in CMAKE_CONFIGURE_ARGS to cmake.

No auto update branch exists
Received ExitFailure 1 when running
Raw command: /nix/store/3nqhcyc7vid1npgcd0m7arg5sn325nhz-nix-2.12.0/bin/nix-build --option sandbox true --arg config "{ allowBroken = true; allowUnfree = true; allowAliases = false; }" --arg overlays "[ ]" -A python311Packages.pyscf
nix build failed.

pyscf/pbc/scf/test/test_addons.py: 18 warnings
  /build/source/pyscf/lib/logger.py:115: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
    rec.stdout.write(msg%args)

pyscf/pbc/symm/test/test_basis.py::KnowValues::test_C2h_symorb
  /build/source/pyscf/pbc/gto/cell.py:963: UserWarning: Electron number 29 and spin 0 are not consistent in cell
  
    warnings.warn('Electron number %d and spin %d are not consistent '

pyscf/pbc/tools/test/test_k2gamma.py::KnownValues::test_double_translation_indices
pyscf/pbc/tools/test/test_k2gamma.py::KnownValues::test_k2gamma
  /build/source/pyscf/pbc/gto/cell.py:963: UserWarning: Electron number 3 and spin 0 are not consistent in cell
  
    warnings.warn('Electron number %d and spin %d are not consistent '

pyscf/pbc/tools/test/test_pbc.py::KnownValues::test_coulG_ws
  /build/source/pyscf/pbc/tools/pbc.py:227: UserWarning: cell.gs is deprecated.  It is replaced by cell.mesh,the number of PWs (=2*gs+1) along each direction.
    warnings.warn('cell.gs is deprecated.  It is replaced by cell.mesh,'

pyscf/tdscf/test/test_tdrks.py::KnownValues::test_tda_with_wfnsym
pyscf/tdscf/test/test_tdrks.py::KnownValues::test_tddft_with_wfnsym
  /build/source/pyscf/lib/linalg_helper.py:574: UserWarning: Not enough eigenvectors (len(x0)=2, nroots=3)
    warnings.warn(msg)

-- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html
=========================== short test summary info ============================
FAILED pyscf/dft/test/test_xc_deriv.py::KnownValues::test_libxc_gga_deriv4 - AssertionError: -1159.150389551407 != -920.135878252819 within 4 places (23...
= 1 failed, 2299 passed, 3 skipped, 304 deselected, 79 warnings in 1429.89s (0:23:49) =
/nix/store/yq9qag5ak3w15nhcqplnhxpny6295l36-stdenv-linux/setup: line 1582: pop_var_context: head of shell_variables not a function context