siesta: 4.1.5 -> 5.2.2 (#385943)

pkgs/applications/science/chemistry/siesta/default.nix

@@ -8,48 +8,56 @@
   useMpi ? false,
   mpi,
   fetchFromGitLab,
+  cmake,
+  pkg-config,
+  readline,
+  ninja,
+  elpa,
 }:
 
-stdenv.mkDerivation rec {
-  version = "4.1.5";
+stdenv.mkDerivation (finalAttrs: {
   pname = "siesta";
+  version = "5.2.2";
 
   src = fetchFromGitLab {
     owner = "siesta-project";
     repo = "siesta";
-    rev = "v${version}";
-    sha256 = "0lz8rfl5xwdj17zn7a30ipi7cgjwqki21a7wg9rdg7iwx27bpnmg";
+    tag = finalAttrs.version;
+    hash = "sha256-pud8RlJAT+0TwyPRsbf5D/8FfLjZvPYPf84Xb7UH6os=";
+    fetchSubmodules = true;
   };
 
-  postPatch = ''
-    substituteInPlace Src/siesta_init.F --replace '/bin/rm' 'rm'
-  '';
-
   passthru = {
     inherit mpi;
   };
 
-  nativeBuildInputs = [ gfortran ];
+  nativeBuildInputs = [
+    ninja
+    gfortran
+    cmake
+    pkg-config
+  ];
 
   buildInputs =
     [
       blas
       lapack
+      readline
+      elpa
     ]
     ++ lib.optionals useMpi [
       mpi
       scalapack
     ];
 
-  enableParallelBuilding = false; # Started making trouble with gcc-11
+  NIX_LDFLAGS = "-lm";
 
-  # Must do manually because siesta does not do the regular
-  # ./configure; make; make install
-  configurePhase = ''
-    cd Obj
-    sh ../Src/obj_setup.sh
-    cp gfortran.make arch.make
-  '';
+  cmakeFlags = [
+    "-DCMAKE_INSTALL_INCLUDEDIR=include"
+    "-DCMAKE_INSTALL_LIBDIR=lib"
+  ];
+
+  enableParallelBuilding = false; # Started making trouble with gcc-11
 
   preBuild =
     ''
@@ -76,12 +84,7 @@ stdenv.mkDerivation rec {
         ''
     );
 
-  installPhase = ''
-    mkdir -p $out/bin
-    cp -a siesta $out/bin
-  '';
-
-  meta = with lib; {
+  meta = {
     description = "First-principles materials simulation code using DFT";
     mainProgram = "siesta";
     longDescription = ''
@@ -98,8 +101,8 @@ stdenv.mkDerivation rec {
       and all-electron methods.
     '';
     homepage = "https://siesta-project.org/siesta/";
-    license = licenses.gpl2;
+    license = lib.licenses.gpl2;
     platforms = [ "x86_64-linux" ];
-    maintainers = [ maintainers.costrouc ];
+    maintainers = [ lib.maintainers.costrouc ];
   };
-}
+})