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@ -11,13 +11,13 @@ let |
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in stdenv.mkDerivation rec { |
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pname = "cp2k"; |
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version = "8.2.0"; |
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version = "9.1.0"; |
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src = fetchFromGitHub { |
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owner = "cp2k"; |
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repo = "cp2k"; |
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rev = "v${version}"; |
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sha256 = "0kykq5p318hxjzd4gzqjwv9gqshbdvbg0gnjbd9bdfjx1r6jkjn3"; |
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hash = "sha256-P9RwZmrE1E0UTQVasQxWAqa3LBLyJNGeJo8T6u5WWcw="; |
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fetchSubmodules = true; |
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}; |
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@ -50,7 +50,9 @@ in stdenv.mkDerivation rec { |
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postPatch = '' |
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patchShebangs tools exts/dbcsr/tools/build_utils exts/dbcsr/.cp2k |
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substituteInPlace exts/dbcsr/.cp2k/Makefile --replace '/usr/bin/env python3' '${python3}/bin/python' |
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substituteInPlace exts/build_dbcsr/Makefile \ |
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--replace '/usr/bin/env python3' '${python3}/bin/python' \ |
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--replace 'SHELL = /bin/sh' 'SHELL = bash' |
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''; |
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configurePhase = '' |
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