tblite: 0.3.0 -> 0.4.0 (#366173)
This commit is contained in:
@@ -2,7 +2,6 @@
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stdenv,
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lib,
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fetchFromGitHub,
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fetchpatch2,
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gfortran,
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meson,
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ninja,
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@@ -18,25 +17,15 @@ assert !blas.isILP64 && !lapack.isILP64;
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stdenv.mkDerivation rec {
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pname = "multicharge";
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version = "0.2.0";
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version = "0.3.0";
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src = fetchFromGitHub {
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owner = "grimme-lab";
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repo = pname;
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rev = "v${version}";
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hash = "sha256-oUI5x5/Gd0EZBb1w+0jlJUF9X51FnkHFu8H7KctqXl0=";
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hash = "sha256-W6IqCz9k6kdPxnIIA+eMCrFjf0ELTeK78VvZoyFcZxU=";
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};
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patches = [
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# Fix finding of MKL for Intel 2021 and newer
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# Also fix finding mstore
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# https://github.com/grimme-lab/multicharge/pull/20
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(fetchpatch2 {
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url = "https://github.com/grimme-lab/multicharge/commit/98a11ac524cd2a1bd9e2aeb8f4429adb2d76ee8.patch";
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hash = "sha256-zZ2pcbyaHjN2ZxpMhlqUtIXImrVsLk/8WIcb9IYPgBw=";
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})
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];
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nativeBuildInputs = [
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gfortran
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meson
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@@ -2,7 +2,6 @@
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stdenv,
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lib,
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fetchFromGitHub,
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fetchpatch,
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gfortran,
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meson,
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ninja,
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@@ -21,23 +20,15 @@ assert !blas.isILP64 && !lapack.isILP64;
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stdenv.mkDerivation rec {
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pname = "tblite";
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version = "0.3.0";
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version = "0.4.0";
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src = fetchFromGitHub {
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owner = "tblite";
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repo = pname;
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rev = "v${version}";
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hash = "sha256-R7CAFG/x55k5Ieslxeq+DWq1wPip4cI+Yvn1cBbeVNs=";
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hash = "sha256-KV2fxB+SF4LilN/87YCvxUt4wsY4YyIV4tqnn+3/0oI=";
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};
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patches = [
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# toml-f 0.4 compatibility
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(fetchpatch {
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url = "https://github.com/tblite/tblite/commit/da759fd02b8fbf470a5c6d3df9657cca6b1d0a9a.diff";
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hash = "sha256-VaeA2VyK+Eas432HMSpJ0lXxHBBNGpfkUO1eHeWpYl0=";
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})
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];
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nativeBuildInputs = [
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gfortran
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meson
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@@ -2,7 +2,6 @@
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lib,
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buildPythonPackage,
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pythonAtLeast,
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fetchpatch,
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meson,
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ninja,
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pkg-config,
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@@ -64,12 +63,6 @@ buildPythonPackage {
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patches = [
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# Add multicharge to the meson deps; otherwise we get missing mod_multicharge errors
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./0001-fix-multicharge-dep-needed-for-static-compilation.patch
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# Toml-f 0.4.0 compatibility https://github.com/tblite/tblite/pull/108
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(fetchpatch {
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url = "https://github.com/tblite/tblite/commit/e4255519b58a5198a5fa8f3073bef1c78a4bbdbe.diff";
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hash = "sha256-BMwYsdWfK+vG3BFgzusLYfwo0WXrYSPxJoEJIyOvbPg=";
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})
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];
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format = "other";
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