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author | Alyssa Ross <hi@alyssa.is> | 2023-08-23 10:09:14 +0000 |
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committer | Alyssa Ross <hi@alyssa.is> | 2023-08-26 09:07:03 +0000 |
commit | 63dabcc77ef9a56655e1ca2ab2e25e6163a72c1f (patch) | |
tree | d58934cb48f9c953b19a0d0d5cffc0d0c5561471 /nixpkgs/pkgs/development/python-modules/pyscf/default.nix | |
parent | c4eef3dacb2a3d359561f30917d9e3cc4e041be9 (diff) | |
parent | 91a22f76cd1716f9d0149e8a5c68424bb691de15 (diff) | |
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Merge branch 'nixos-unstable' of https://github.com/NixOS/nixpkgs
Conflicts: nixpkgs/pkgs/build-support/go/module.nix nixpkgs/pkgs/development/python-modules/django-mailman3/default.nix
Diffstat (limited to 'nixpkgs/pkgs/development/python-modules/pyscf/default.nix')
-rw-r--r-- | nixpkgs/pkgs/development/python-modules/pyscf/default.nix | 8 |
1 files changed, 6 insertions, 2 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/pyscf/default.nix b/nixpkgs/pkgs/development/python-modules/pyscf/default.nix index cc17d141be66..29f795560d41 100644 --- a/nixpkgs/pkgs/development/python-modules/pyscf/default.nix +++ b/nixpkgs/pkgs/development/python-modules/pyscf/default.nix @@ -16,13 +16,13 @@ buildPythonPackage rec { pname = "pyscf"; - version = "2.2.0"; + version = "2.3.0"; src = fetchFromGitHub { owner = "pyscf"; repo = pname; rev = "v${version}"; - hash = "sha256-3ylFz5j176hBQLklLmVKltE8whynzojsoBEWjEL2M14="; + hash = "sha256-x693NB0oc9X7SuDZlV3VKOmgnIgKA39O9yswDM0outk="; }; # setup.py calls Cmake and passes the arguments in CMAKE_CONFIGURE_ARGS to cmake. @@ -81,6 +81,10 @@ buildPythonPackage rec { -e libxc_cam_beta_bug \ -e test_finite_diff_rks_eph \ -e test_finite_diff_uks_eph \ + -e test_finite_diff_roks_grad \ + -e test_finite_diff_df_roks_grad \ + -e test_frac_particles \ + -e test_nosymm_sa4_newton \ -e test_pipek \ -e test_n3_cis_ewald \ -e test_veff \ |