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Merge pull request #154282 from sheepforce/cp2k

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cp2k: 8.2.0 -> 9.1.0
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markuskowa 2022-01-10 16:11:12 +01:00 committed by GitHub
commit 6b7fde6fd2
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1 changed files with 5 additions and 3 deletions
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8
pkgs/applications/science/chemistry/cp2k/default.nix
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@ -11,13 +11,13 @@ let
in stdenv.mkDerivation rec {
pname = "cp2k";
version = "8.2.0";
version = "9.1.0";
src = fetchFromGitHub {
owner = "cp2k";
repo = "cp2k";
rev = "v${version}";
sha256 = "0kykq5p318hxjzd4gzqjwv9gqshbdvbg0gnjbd9bdfjx1r6jkjn3";
hash = "sha256-P9RwZmrE1E0UTQVasQxWAqa3LBLyJNGeJo8T6u5WWcw=";
fetchSubmodules = true;
};
@ -50,7 +50,9 @@ in stdenv.mkDerivation rec {
postPatch = ''
patchShebangs tools exts/dbcsr/tools/build_utils exts/dbcsr/.cp2k
substituteInPlace exts/dbcsr/.cp2k/Makefile --replace '/usr/bin/env python3' '${python3}/bin/python'
substituteInPlace exts/build_dbcsr/Makefile \
--replace '/usr/bin/env python3' '${python3}/bin/python' \
--replace 'SHELL = /bin/sh' 'SHELL = bash'
'';
configurePhase = ''