pyrox.dev
superlu: 5.2.1 -> 7.0.0; openmolcas: unpin Boost (#359050)
authored by
Markus Kowalewski
and committed by
GitHub
cde67126
66817904
+2
-2
pkgs/by-name/op/openmolcas/package.nix
+2
-2
pkgs/by-name/op/openmolcas/package.nix
···
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libxc,
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makeWrapper,
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gsl,
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boost180,
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boost,
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autoPatchelfHook,
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enableQcmaquis ? false,
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# Note that the CASPT2 module is broken with MPI
···
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armadillo
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libxc
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gsl.dev
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-
boost180
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boost
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]
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++ lib.optionals enableMpi [
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mpi
+39
-24
pkgs/by-name/su/superlu/package.nix
+39
-24
pkgs/by-name/su/superlu/package.nix
···
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-
{ lib, stdenv, fetchurl, cmake,
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{ lib, stdenv, fetchFromGitHub, fetchurl, cmake, ninja,
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gfortran, blas, lapack}:
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assert (!blas.isILP64) && (!lapack.isILP64);
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stdenv.mkDerivation rec {
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version = "5.2.1";
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stdenv.mkDerivation (finalAttrs: {
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pname = "superlu";
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version = "7.0.0";
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src = fetchurl {
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url = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/superlu_${version}.tar.gz";
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sha256 = "0qzlb7cd608q62kyppd0a8c65l03vrwqql6gsm465rky23b6dyr8";
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src = fetchFromGitHub {
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owner = "xiaoyeli";
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repo = "superlu";
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rev = "refs/tags/v${finalAttrs.version}";
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# Remove non‐free files.
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#
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# See:
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# * <https://github.com/xiaoyeli/superlu/issues/9>
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# * <https://github.com/xiaoyeli/superlu/blob/0bbd6571bd839d866bff6a8ff1eaa812a8c31463/License.txt#L32-L65>
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# * <https://salsa.debian.org/science-team/superlu/-/blob/0acab1b41f332f2f2e3b0b5d28ba7fc9f7539533/debian/copyright>
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postFetch = "rm $out/SRC/mc64ad.* $out/DOC/*.pdf";
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hash = "sha256-iJiVyY+/vr6kll8FCunvZ8rKBj+w+Rnj4F696XW9xFc=";
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};
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nativeBuildInputs = [ cmake gfortran ];
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+
patches = [
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(fetchurl {
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url = "https://salsa.debian.org/science-team/superlu/-/raw/fae141179928d1cc5a8e381503e8b1264d297c3d/debian/patches/mc64ad-stub.patch";
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hash = "sha256-QUaNUDaRghTqr6jk1TE6a7CdXABqu7xAkYZDhL/lZBQ=";
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})
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];
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+
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nativeBuildInputs = [ cmake ninja gfortran ];
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propagatedBuildInputs = [ blas ];
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cmakeFlags = [
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"-DBUILD_SHARED_LIBS=true"
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"-DUSE_XSDK_DEFAULTS=true"
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(lib.cmakeBool "BUILD_SHARED_LIBS" true)
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(lib.cmakeBool "enable_fortran" true)
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];
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env = lib.optionalAttrs stdenv.cc.isClang {
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NIX_CFLAGS_COMPILE = toString [
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"-Wno-error=implicit-function-declaration"
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"-Wno-error=implicit-int"
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];
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};
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doCheck = true;
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patches = [
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./add-superlu-lib-as-dependency-for-the-unit-tests.patch
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];
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meta = {
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homepage = "https://portal.nersc.gov/project/sparse/superlu/";
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license = [
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lib.licenses.bsd3Lbnl
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# Xerox code; actually `Boehm-GC` variant.
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lib.licenses.mit
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doCheck = true;
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checkTarget = "test";
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# University of Minnesota example files.
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lib.licenses.gpl2Plus
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meta = {
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homepage = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/";
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license = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/License.txt";
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# University of Florida code; permissive COLAMD licence.
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lib.licenses.free
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];
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description = "Library for the solution of large, sparse, nonsymmetric systems of linear equations";
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platforms = lib.platforms.unix;
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};
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}
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+
})