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| author | markuskowa <markus.kowalewski@gmail.com> | 2023-08-17 12:53:41 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-08-17 12:53:41 +0200 |
| commit | 18e6e425b05252496623e5828449a54b1d991372 (patch) | |
| tree | 88e45217aed55b5ab6eca95cd0655d29a4b9bba7 | |
| parent | 83739917b69e61b4077c3ff24b0c7af3358fca8c (diff) | |
| parent | 8660fdf5140d46029a6ba6f0bc0c568980c3d6f1 (diff) | |
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Merge pull request #249541 from sheepforce/pyscf
pyscf: 2.2.0 -> 2.3.0
| -rw-r--r-- | pkgs/development/python-modules/pyscf/default.nix | 8 |
1 files changed, 6 insertions, 2 deletions
diff --git a/pkgs/development/python-modules/pyscf/default.nix b/pkgs/development/python-modules/pyscf/default.nix index cc17d141be6..29f795560d4 100644 --- a/pkgs/development/python-modules/pyscf/default.nix +++ b/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 \ |