superlu: 5.2.1 -> 7.0.0; openmolcas: unpin Boost (#359050)

pkgs/by-name/op/openmolcas/package.nix

@@ -14,7 +14,7 @@
   libxc,
   makeWrapper,
   gsl,
-  boost180,
+  boost,
   autoPatchelfHook,
   enableQcmaquis ? false,
   # Note that the CASPT2 module is broken with MPI
@@ -103,7 +103,7 @@ stdenv.mkDerivation rec {
       armadillo
       libxc
       gsl.dev
-      boost180
+      boost
     ]
     ++ lib.optionals enableMpi [
       mpi

pkgs/by-name/su/superlu/package.nix

@@ -1,44 +1,59 @@
-{ lib, stdenv, fetchurl, cmake,
+{ lib, stdenv, fetchFromGitHub, fetchurl, cmake, ninja,
   gfortran, blas, lapack}:
 
 assert (!blas.isILP64) && (!lapack.isILP64);
 
-stdenv.mkDerivation rec {
-  version = "5.2.1";
+stdenv.mkDerivation (finalAttrs: {
   pname = "superlu";
+  version = "7.0.0";
 
-  src = fetchurl {
-    url = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/superlu_${version}.tar.gz";
-    sha256 = "0qzlb7cd608q62kyppd0a8c65l03vrwqql6gsm465rky23b6dyr8";
+  src = fetchFromGitHub {
+    owner = "xiaoyeli";
+    repo = "superlu";
+    rev = "refs/tags/v${finalAttrs.version}";
+    # Remove non‐free files.
+    #
+    # See:
+    # * <https://github.com/xiaoyeli/superlu/issues/9>
+    # * <https://github.com/xiaoyeli/superlu/blob/0bbd6571bd839d866bff6a8ff1eaa812a8c31463/License.txt#L32-L65>
+    # * <https://salsa.debian.org/science-team/superlu/-/blob/0acab1b41f332f2f2e3b0b5d28ba7fc9f7539533/debian/copyright>
+    postFetch = "rm $out/SRC/mc64ad.* $out/DOC/*.pdf";
+    hash = "sha256-iJiVyY+/vr6kll8FCunvZ8rKBj+w+Rnj4F696XW9xFc=";
   };
 
-  nativeBuildInputs = [ cmake gfortran ];
+  patches = [
+    (fetchurl {
+      url = "https://salsa.debian.org/science-team/superlu/-/raw/fae141179928d1cc5a8e381503e8b1264d297c3d/debian/patches/mc64ad-stub.patch";
+      hash = "sha256-QUaNUDaRghTqr6jk1TE6a7CdXABqu7xAkYZDhL/lZBQ=";
+    })
+  ];
+
+  nativeBuildInputs = [ cmake ninja gfortran ];
 
   propagatedBuildInputs = [ blas ];
 
   cmakeFlags = [
-    "-DBUILD_SHARED_LIBS=true"
-    "-DUSE_XSDK_DEFAULTS=true"
-  ];
-
-  env = lib.optionalAttrs stdenv.cc.isClang {
-    NIX_CFLAGS_COMPILE = toString [
-      "-Wno-error=implicit-function-declaration"
-      "-Wno-error=implicit-int"
-    ];
-  };
-
-  patches = [
-    ./add-superlu-lib-as-dependency-for-the-unit-tests.patch
+    (lib.cmakeBool "BUILD_SHARED_LIBS" true)
+    (lib.cmakeBool "enable_fortran" true)
   ];
 
   doCheck = true;
-  checkTarget = "test";
 
   meta = {
-    homepage = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/";
-    license = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/License.txt";
+    homepage = "https://portal.nersc.gov/project/sparse/superlu/";
+    license = [
+      lib.licenses.bsd3Lbnl
+
+      # Xerox code; actually `Boehm-GC` variant.
+      lib.licenses.mit
+
+      # University of Minnesota example files.
+      lib.licenses.gpl2Plus
+
+      # University of Florida code; permissive COLAMD licence.
+      lib.licenses.free
+    ];
     description = "Library for the solution of large, sparse, nonsymmetric systems of linear equations";
     platforms = lib.platforms.unix;
   };
-}
+})