tblite: 0.3.0 -> 0.4.0 (#366173)

This commit is contained in:
Markus Kowalewski
2024-12-18 16:21:28 +01:00
committed by GitHub
3 changed files with 4 additions and 31 deletions
+2 -13
View File
@@ -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${version}";
hash = "sha256-oUI5x5/Gd0EZBb1w+0jlJUF9X51FnkHFu8H7KctqXl0=";
hash = "sha256-W6IqCz9k6kdPxnIIA+eMCrFjf0ELTeK78VvZoyFcZxU=";
};
patches = [
# Fix finding of MKL for Intel 2021 and newer
# Also fix finding mstore
# https://github.com/grimme-lab/multicharge/pull/20
(fetchpatch2 {
url = "https://github.com/grimme-lab/multicharge/commit/98a11ac524cd2a1bd9e2aeb8f4429adb2d76ee8.patch";
hash = "sha256-zZ2pcbyaHjN2ZxpMhlqUtIXImrVsLk/8WIcb9IYPgBw=";
})
];
nativeBuildInputs = [
gfortran
meson
@@ -2,7 +2,6 @@
stdenv,
lib,
fetchFromGitHub,
fetchpatch,
gfortran,
meson,
ninja,
@@ -21,23 +20,15 @@ assert !blas.isILP64 && !lapack.isILP64;
stdenv.mkDerivation rec {
pname = "tblite";
version = "0.3.0";
version = "0.4.0";
src = fetchFromGitHub {
owner = "tblite";
repo = pname;
rev = "v${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
@@ -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";