tblite: 0.3.0 -> 0.4.0 (NixOS#366173)

khaneliman · Dec 18, 2024 · 036d1c7 · 036d1c7
2 parents 2718b24 + e19e934
commit 036d1c7
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Showing 3 changed files with 4 additions and 31 deletions.
diff --git a/pkgs/by-name/mu/multicharge/package.nix b/pkgs/by-name/mu/multicharge/package.nix
@@ -2,7 +2,6 @@
   stdenv,
   lib,
   fetchFromGitHub,
-  fetchpatch2,
   gfortran,
   meson,
   ninja,
@@ -18,25 +17,15 @@ assert !blas.isILP64 && !lapack.isILP64;
 
 stdenv.mkDerivation rec {
   pname = "multicharge";
-  version = "0.2.0";
+  version = "0.3.0";
 
   src = fetchFromGitHub {
     owner = "grimme-lab";
     repo = pname;
     rev = "v${version}";
-    hash = "sha256-oUI5x5/Gd0EZBb1w+0jlJUF9X51FnkHFu8H7KctqXl0=";
+    hash = "sha256-W6IqCz9k6kdPxnIIA+eMCrFjf0ELTeK78VvZoyFcZxU=";
   };
 
-  patches = [
-    # Fix finding of MKL for Intel 2021 and newer
-    # Also fix finding mstore
-    # https://github.com/grimme-lab/multicharge/pull/20
-    (fetchpatch2 {
-      url = "https://github.com/grimme-lab/multicharge/commit/98a11ac524cd2a1bd9e2aeb8f4429adb2d76ee8.patch";
-      hash = "sha256-zZ2pcbyaHjN2ZxpMhlqUtIXImrVsLk/8WIcb9IYPgBw=";
-    })
-  ];
-
   nativeBuildInputs = [
     gfortran
     meson

diff --git a/pkgs/development/libraries/science/chemistry/tblite/default.nix b/pkgs/development/libraries/science/chemistry/tblite/default.nix
@@ -2,7 +2,6 @@
   stdenv,
   lib,
   fetchFromGitHub,
-  fetchpatch,
   gfortran,
   meson,
   ninja,
@@ -21,23 +20,15 @@ assert !blas.isILP64 && !lapack.isILP64;
 
 stdenv.mkDerivation rec {
   pname = "tblite";
-  version = "0.3.0";
+  version = "0.4.0";
 
   src = fetchFromGitHub {
     owner = "tblite";
     repo = pname;
     rev = "v${version}";
-    hash = "sha256-R7CAFG/x55k5Ieslxeq+DWq1wPip4cI+Yvn1cBbeVNs=";
+    hash = "sha256-KV2fxB+SF4LilN/87YCvxUt4wsY4YyIV4tqnn+3/0oI=";
   };
 
-  patches = [
-    # toml-f 0.4 compatibility
-    (fetchpatch {
-      url = "https://github.com/tblite/tblite/commit/da759fd02b8fbf470a5c6d3df9657cca6b1d0a9a.diff";
-      hash = "sha256-VaeA2VyK+Eas432HMSpJ0lXxHBBNGpfkUO1eHeWpYl0=";
-    })
-  ];
-
   nativeBuildInputs = [
     gfortran
     meson

diff --git a/pkgs/development/libraries/science/chemistry/tblite/python.nix b/pkgs/development/libraries/science/chemistry/tblite/python.nix
@@ -2,7 +2,6 @@
   lib,
   buildPythonPackage,
   pythonAtLeast,
-  fetchpatch,
   meson,
   ninja,
   pkg-config,
@@ -64,12 +63,6 @@ buildPythonPackage {
   patches = [
     # Add multicharge to the meson deps; otherwise we get missing mod_multicharge errors
     ./0001-fix-multicharge-dep-needed-for-static-compilation.patch
-
-    # Toml-f 0.4.0 compatibility https://github.com/tblite/tblite/pull/108
-    (fetchpatch {
-      url = "https://github.com/tblite/tblite/commit/e4255519b58a5198a5fa8f3073bef1c78a4bbdbe.diff";
-      hash = "sha256-BMwYsdWfK+vG3BFgzusLYfwo0WXrYSPxJoEJIyOvbPg=";
-    })
   ];
 
   format = "other";