Mumps: add variant mumps_par with mpi support (NixOS#351476)

maintainers/maintainer-list.nix

@@ -17676,6 +17676,12 @@
     githubId = 12017109;
     name = "Rabindra Dhakal";
   };
+  qbisi = {
+    name = "qbisicwate";
+    email = "[email protected]";
+    github = "qbisi";
+    githubId = 84267544;
+  };
   qbit = {
     name = "Aaron Bieber";
     email = "[email protected]";

pkgs/by-name/ca/casadi/package.nix

@@ -10,6 +10,7 @@
   cplex,
   fatrop,
   fetchFromGitHub,
+  fetchpatch,
   gurobi,
   highs,
   hpipm,
@@ -45,6 +46,14 @@ stdenv.mkDerivation (finalAttrs: {
     hash = "sha256-Mft0qhjdAbU82RgjYuKue5p7EqbTbt3ii5yXSsCFHrQ=";
   };
 
+  patches = [
+    (fetchpatch {
+      name = "fix-FindMUMPS.cmake.patch";
+      url = "https://github.com/casadi/casadi/pull/3899/commits/274f4b23f73e60c5302bec0479fe1e92682b63d2.patch";
+      hash = "sha256-3GWEWlN8dKLD6htpnOQLChldcT3hE09JWLeuCfAhY+4=";
+    })
+  ];
+
   postPatch =
     ''
       # fix case of hpipmConfig.cmake
@@ -57,11 +66,6 @@ stdenv.mkDerivation (finalAttrs: {
         '$'{CLANG_LLVM_LIB_DIR} \
         ${llvmPackages_17.libclang.lib}/lib
 
-      # fix mumps lib name. No idea where this comes from.
-      substituteInPlace cmake/FindMUMPS.cmake --replace-fail \
-        "mumps_seq" \
-        "mumps"
-
       # help casadi find its own libs
       substituteInPlace casadi/core/casadi_os.cpp --replace-fail \
         "std::vector<std::string> search_paths;" \

pkgs/by-name/mu/mumps/package.nix

@@ -6,9 +6,55 @@
   lapack,
   lib,
   metis,
+  parmetis,
+  withParmetis ? false, # default to false due to unfree license
   scotch,
+  withPtScotch ? mpiSupport,
   stdenv,
+  fixDarwinDylibNames,
+  mpi,
+  mpiSupport ? false,
+  mpiCheckPhaseHook,
+  scalapack,
 }:
+assert withParmetis -> mpiSupport;
+assert withPtScotch -> mpiSupport;
+let
+  profile = if mpiSupport then "debian.PAR" else "debian.SEQ";
+  metisFlags =
+    if withParmetis then
+      ''
+        IMETIS="-I${parmetis}/include -I${metis}/include" \
+        LMETIS="-L${parmetis}/lib -lparmetis -L${metis}/lib -lmetis"
+      ''
+    else
+      ''
+        IMETIS=-I${metis}/include \
+        LMETIS="-L${metis}/lib -lmetis"
+      '';
+  scotchFlags =
+    if withPtScotch then
+      ''
+        ISCOTCH=-I${scotch.dev}/include \
+        LSCOTCH="-L${scotch}/lib -lptscotch -lptesmumps -lptscotcherr"
+      ''
+    else
+      ''
+        ISCOTCH=-I${scotch.dev}/include \
+        LSCOTCH="-L${scotch}/lib -lesmumps -lscotch -lscotcherr"
+      '';
+  macroFlags =
+    "-Dmetis -Dpord -Dscotch"
+    + lib.optionalString withParmetis " -Dparmetis"
+    + lib.optionalString withPtScotch " -Dptscotch";
+  # Optimized options
+  # Disable -fopenmp in lines below to benefit from OpenMP
+  optFlags = ''
+    OPTF="-O3 -fallow-argument-mismatch" \
+    OPTL="-O3" \
+    OPTC="-O3"
+  '';
+in
 stdenv.mkDerivation (finalAttrs: {
   name = "mumps";
   version = "5.7.3";
@@ -18,28 +64,20 @@ stdenv.mkDerivation (finalAttrs: {
     hash = "sha256-ZnIfAuvOBJDYqCtKGlWs0r39nG6X2lAVRuUmeIJenZw=";
   };
 
-  patches = [
-    # Compatibility with coin-or-mumps version
-    (fetchpatch {
-      url = "https://raw.githubusercontent.com/coin-or-tools/ThirdParty-Mumps/bd0bdf9baa3f3677bd34fb36ce63b2b32cc6cc7d/mumps_mpi.patch";
-      hash = "sha256-70qZUKBVBpJOSRxYxng5Y6ct1fdCUQUGur3chDhGabQ=";
-    })
-  ];
-
-  postPatch =
-    ''
-      # Compatibility with coin-or-mumps version
-      # https://github.com/coin-or-tools/ThirdParty-Mumps/blob/stable/3.0/get.Mumps#L66
-      cp libseq/mpi.h libseq/mumps_mpi.h
-    ''
-    + lib.optionalString stdenv.hostPlatform.isDarwin ''
-      substituteInPlace src/Makefile --replace-fail \
-        "-Wl,\''$(SONAME),libmumps_common" \
-        "-Wl,-install_name,$out/lib/libmumps_common"
-    '';
+  postPatch = lib.optionalString stdenv.hostPlatform.isDarwin ''
+    substituteInPlace src/Makefile --replace-fail \
+      "-Wl,\''$(SONAME),libmumps_common" \
+      "-Wl,-install_name,$out/lib/libmumps_common"
+  '';
 
   configurePhase = ''
-    cp Make.inc/Makefile.debian.SEQ ./Makefile.inc
+    cp Make.inc/Makefile.${profile} ./Makefile.inc
+  '';
+
+  enableParallelBuilding = true;
+
+  preBuild = ''
+    makeFlagsArray+=(${metisFlags} ${scotchFlags} ORDERINGSF="${macroFlags}" ${optFlags})
   '';
 
   makeFlags =
@@ -48,84 +86,74 @@ stdenv.mkDerivation (finalAttrs: {
       "LIBEXT_SHARED=.dylib"
     ]
     ++ [
-      "LSCOTCHDIR=${scotch}/lib"
-      "ISCOTCH=-I${scotch.dev}/include"
-      "LMETISDIR=${metis}/lib"
-      "IMETIS=-I${metis}/include"
+      "SCALAP=-lscalapack"
       "allshared"
     ];
 
-  installPhase = ''
-    mkdir $out
-    cp -r include lib $out
+  installPhase =
+    ''
+      mkdir $out
+      cp -r include lib $out
+    ''
+    + lib.optionalString (!mpiSupport) ''
+      # Install mumps_seq headers
+      install -Dm 444 -t $out/include/mumps_seq libseq/*.h
 
-    # Add some compatibility with coin-or-mumps
-    ln -s $out/include $out/include/mumps
-    cp libseq/mumps_mpi.h $out/include
-  '';
+      # Add some compatibility with coin-or-mumps
+      ln -s $out/include/mumps_seq/mpi.h $out/include/mumps_mpi.h
+    '';
 
-  nativeBuildInputs = [ gfortran ];
+  nativeBuildInputs = [
+    gfortran
+  ] ++ lib.optional stdenv.hostPlatform.isDarwin fixDarwinDylibNames ++ lib.optional mpiSupport mpi;
 
-  buildInputs = [
-    blas
-    lapack
-    metis
-    scotch
-  ];
+  # Parmetis should be placed before scotch to avoid conflict of header file "parmetis.h"
+  buildInputs =
+    lib.optional withParmetis parmetis
+    ++ lib.optional mpiSupport scalapack
+    ++ [
+      blas
+      lapack
+      metis
+      scotch
+    ];
 
-  preFixup = lib.optionalString stdenv.hostPlatform.isDarwin ''
-    install_name_tool \
-      -change    libmpiseq.dylib \
-        $out/lib/libmpiseq.dylib \
-      -change    libpord.dylib \
-        $out/lib/libpord.dylib \
-        $out/lib/libmumps_common.dylib
-    install_name_tool \
-      -change    libmpiseq.dylib \
-        $out/lib/libmpiseq.dylib \
-      -change    libpord.dylib \
-        $out/lib/libpord.dylib \
-      -id \
-        $out/lib/libcmumps.dylib \
-        $out/lib/libcmumps.dylib
-    install_name_tool \
-      -change    libmpiseq.dylib \
-        $out/lib/libmpiseq.dylib \
-      -change    libpord.dylib \
-        $out/lib/libpord.dylib \
-      -id \
-        $out/lib/libdmumps.dylib \
-        $out/lib/libdmumps.dylib
-    install_name_tool \
-      -change    libmpiseq.dylib \
-        $out/lib/libmpiseq.dylib \
-      -change    libpord.dylib \
-        $out/lib/libpord.dylib \
-      -id \
-        $out/lib/libsmumps.dylib \
-        $out/lib/libsmumps.dylib
-    install_name_tool \
-      -change    libmpiseq.dylib \
-        $out/lib/libmpiseq.dylib \
-      -change    libpord.dylib \
-        $out/lib/libpord.dylib \
-      -id \
-        $out/lib/libzmumps.dylib \
-        $out/lib/libzmumps.dylib
-    install_name_tool \
-      -id \
-        $out/lib/libmpiseq.dylib \
-        $out/lib/libmpiseq.dylib
-    install_name_tool \
-      -id \
-        $out/lib/libpord.dylib \
-        $out/lib/libpord.dylib
+  doInstallCheck = true;
+  nativeInstallCheckInputs = lib.optional mpiSupport mpiCheckPhaseHook;
+  installCheckPhase = ''
+    runHook preInstallCheck
+    ${lib.optionalString stdenv.hostPlatform.isDarwin "export DYLD_LIBRARY_PATH=$out/lib\n"}
+    ${lib.optionalString mpiSupport "export MPIRUN='mpirun -n 2'\n"}
+    cd examples
+    make all
+    $MPIRUN ./ssimpletest <input_simpletest_real
+    $MPIRUN ./dsimpletest <input_simpletest_real
+    $MPIRUN ./csimpletest <input_simpletest_cmplx
+    $MPIRUN ./zsimpletest <input_simpletest_cmplx
+    $MPIRUN ./c_example
+    $MPIRUN ./multiple_arithmetics_example
+    $MPIRUN ./ssimpletest_save_restore <input_simpletest_real
+    $MPIRUN ./dsimpletest_save_restore <input_simpletest_real
+    $MPIRUN ./csimpletest_save_restore <input_simpletest_cmplx
+    $MPIRUN ./zsimpletest_save_restore <input_simpletest_cmplx
+    $MPIRUN ./c_example_save_restore
+    runHook postInstallCheck
   '';
 
+  passthru = {
+    inherit withParmetis withPtScotch mpiSupport;
+  };
+
   meta = {
     description = "MUltifrontal Massively Parallel sparse direct Solver";
     homepage = "http://mumps-solver.org/";
     license = lib.licenses.cecill-c;
-    maintainers = with lib.maintainers; [ nim65s ];
+    maintainers = with lib.maintainers; [
+      nim65s
+      qbisi
+    ];
+    platforms = lib.platforms.unix;
+    # Dependency of scalapack for mpiSupport is broken on darwin platform
+    broken = mpiSupport && stdenv.hostPlatform.isDarwin;
   };
 })

pkgs/top-level/all-packages.nix

@@ -681,6 +681,8 @@ with pkgs;
     inherit (darwin) DarwinTools;
   };
 
+  mumps_par = callPackage ../by-name/mu/mumps/package.nix { mpiSupport = true; };
+
   mix2nix = callPackage ../development/tools/mix2nix { };
 
   n98-magerun = callPackage ../development/tools/misc/n98-magerun { };