Add mstm serial and parallel

Make the parallel version default

pkgs/default.nix

@@ -1,4 +1,5 @@
 pkgs: {
   zluda-rocm5 = pkgs.callPackage ./zluda-rocm5/package.nix {};
   candy-icons = pkgs.callPackage ./candy-icons/package.nix {};
+  mstm = pkgs.callPackage ./mstm/parallel.nix {};
 }

pkgs/mstm/example1.inp

@@ -0,0 +1,34 @@
+! calculations for figure 1
+output_file
+mstm-2022b-fig1.dat
+number_spheres
+2
+sphere_data
+0.d0,0.d0,-5.d0,5.d0,(1.6d0,0.d0)
+0.d0,0.d0,2.5d0,2.5d0,(1.d0,0.d0)
+end_of_sphere_data
+number_plane_boundaries
+2
+layer_thickness
+5.d0
+layer_ref_index
+(1.d0,0.d0),(1.6d0,0.d0),(1.d0,0.d0)
+incident_beta_deg
+0.d0
+incident_alpha_deg
+0.d0
+length_scale_factor
+1.d0
+calculate_scattering_matrix
+f
+calculate_near_field
+t
+near_field_minimum_border
+-10.d0,0.d0,-10.d0
+near_field_maximum_border
+10.d0,0.d0,10.d0
+near_field_step_size
+0.1d0
+near_field_output_file
+nf-fig1.dat
+end_of_options

pkgs/mstm/parallel.nix

@@ -0,0 +1,73 @@
+{
+  stdenv,
+  lib,
+  makeWrapper,
+  fetchFromGitHub,
+  gfortran,
+  mpi,
+}:
+stdenv.mkDerivation rec {
+  pname = "mstm";
+  version = "v4.0.0";
+  # version = "4-2024-02-08";
+
+  src = fetchFromGitHub {
+    owner = "dmckwski";
+    repo = pname;
+    rev = version;
+    hash = "sha256-gIlZMHE7vNDtRtzdYRtXeo+PBgJHi911AJaXzMn/wpI=";
+  };
+
+  buildInputs = [
+    makeWrapper
+  ];
+
+  nativeBuildInputs = [
+    gfortran
+    mpi
+  ];
+
+  preInstallPhase = ''
+    mkdir -p $out/bin
+    cat >> $out/bin/mstm << EOF
+    #!/usr/bin/env bash
+
+    if [[ \$# -eq 1 ]]; then
+    mpiexec -n 4 $out/bin/mstm-mpi \$1
+    else
+    mpiexec -n \$1 $out/bin/mstm-mpi \$2
+    fi
+    EOF
+    chmod +x $out/bin/mstm
+  '';
+
+  buildPhase = ''
+    cd ./code
+    mpif90 -O2 -fallow-argument-mismatch -c -o mstm-intrinsics.obj mstm-intrinsics.f90
+    mpif90 -O2 -fallow-argument-mismatch -c -o mpidefs-parallel.obj mpidefs-parallel.f90
+    mpif90 -O2 -fallow-argument-mismatch -c -o mstm.obj mstm-v4.0.f90
+    mpif90 -O2 -fallow-argument-mismatch -o mstm-mpi mstm-intrinsics.obj mpidefs-parallel.obj mstm.obj
+  '';
+
+  installPhase = ''
+    runHook preInstallPhase
+
+    mkdir -p $out/bin
+    cp ${pname}-mpi $out/bin
+
+    runHook postInstallPhase
+  '';
+
+  postInstallPhase = ''
+    wrapProgram $out/bin/mstm \
+      --prefix PATH : ${lib.makeBinPath [mpi]}
+  '';
+
+  meta = with lib; {
+    homepage = "https://github.com/dmckwski/MSTM";
+    description = "Multiple Sphere T Matrix code in Fortran - parallel edition";
+    license = licenses.mit;
+    platforms = platforms.linux;
+    maintainers = with maintainers; [arunoruto];
+  };
+}

pkgs/mstm/serial.nix

@@ -0,0 +1,43 @@
+{
+  stdenv,
+  lib,
+  fetchFromGitHub,
+  gfortran,
+}:
+stdenv.mkDerivation rec {
+  pname = "mstm";
+  version = "v4.0.0";
+  # version = "4-2024-02-08";
+
+  src = fetchFromGitHub {
+    owner = "dmckwski";
+    repo = pname;
+    rev = version;
+    hash = "sha256-gIlZMHE7vNDtRtzdYRtXeo+PBgJHi911AJaXzMn/wpI=";
+  };
+
+  nativeBuildInputs = [
+    gfortran
+  ];
+
+  buildPhase = ''
+    cd ./code
+    gfortran -O2 -fallow-argument-mismatch -c -o mstm-intrinsics.obj mstm-intrinsics.f90
+    gfortran -O2 -fallow-argument-mismatch -c -o mpidefs-serial.obj mpidefs-serial.f90
+    gfortran -O2 -fallow-argument-mismatch -c -o mstm.obj mstm-v4.0.f90
+    gfortran -O2 -fallow-argument-mismatch -o mstm mstm-intrinsics.obj mpidefs-serial.obj mstm.obj
+  '';
+
+  installPhase = ''
+    mkdir -p $out/bin
+    cp ${pname} $out/bin
+  '';
+
+  meta = with lib; {
+    homepage = "https://github.com/dmckwski/MSTM";
+    description = "Multiple Sphere T Matrix code in Fortran";
+    license = licenses.mit;
+    platforms = platforms.linux;
+    maintainers = with maintainers; [arunoruto];
+  };
+}