Merge pull request #1 from FabianGD/meep

Working MEEP in pythonPackages
sheepforce · Jun 11, 2021 · 2bd756e · 2bd756e
2 parents 9a064bc + 5e851ed
commit 2bd756e
Show file tree

Hide file tree

Showing 3 changed files with 54 additions and 6 deletions.
diff --git a/default.nix b/default.nix
@@ -158,8 +158,6 @@ let
 
       mctdh = callPackage ./pkgs/apps/mctdh { };
 
-      meep = callPackage ./pkgs/apps/meep { };
-
       mesa-qc = callPackage ./pkgs/apps/mesa {
         gfortran = final.gfortran6;
       };

diff --git a/pkgs/apps/meep/default.nix b/pkgs/apps/meep/default.nix
@@ -1,8 +1,11 @@
-{ stdenv, lib, fetchFromGitHub, autoreconfHook, gfortran, blas, lapack, fftw, hdf5-full
-, pkg-config, mpi, python3, harminv, libctl, libGDSII
+{ stdenv, lib, buildPythonPackage, fetchFromGitHub, autoreconfHook, pkg-config
+, gfortran, mpi, blas, lapack, fftw, hdf5-full, swig, gsl, harminv, libctl
+, libGDSII
+# Python
+, python, numpy, scipy, matplotlib, h5py, cython, autograd, mpi4py
 } :
 
-stdenv.mkDerivation rec {
+buildPythonPackage rec {
   pname = "meep";
   version = "1.18.0";
 
@@ -17,9 +20,12 @@ stdenv.mkDerivation rec {
     autoreconfHook
     gfortran
     pkg-config
+    swig
+    mpi
   ];
 
   buildInputs = [
+    gsl
     blas
     lapack
     fftw
@@ -31,18 +37,59 @@ stdenv.mkDerivation rec {
 
   propagatedBuildInputs = [
     mpi
-    python3
+    numpy
+    scipy
+    matplotlib
+    h5py
+    cython
+    autograd
+    mpi4py
   ];
+
   propagatedUserEnvPkgs = [ mpi ];
 
+  dontUseSetuptoolsBuild = true;
+  dontUsePipInstall = true;
+  dontUseSetuptoolsCheck = true;
+
+  HDF5_MPI = "ON";
+  PYTHON = "${python}/bin/${python.executable}";
+
+  enableParallelBuilding = true;
+
   configureFlags = [
     "--without-libctl"
+    "--enable-shared"
     "--with-mpi"
     "--with-openmp"
+    "--enable-maintainer-mode"
   ];
 
   passthru = { inherit mpi; };
 
+  doCheck = true;
+  checkPhase = ''
+    export PYTHONPATH="$out/lib/${python.libPrefix}/site-packages:$PYTHONPATH"
+    python3 << EOF
+    import meep as mp
+    cell = mp.Vector3(16,8,0)
+    geometry = [mp.Block(mp.Vector3(mp.inf,1,mp.inf),
+                     center=mp.Vector3(),
+                     material=mp.Medium(epsilon=12))]
+    sources = [mp.Source(mp.ContinuousSource(frequency=0.15),
+                     component=mp.Ez,
+                     center=mp.Vector3(-7,0))]
+    pml_layers = [mp.PML(1.0)]
+    resolution = 10
+    sim = mp.Simulation(cell_size=cell,
+                    boundary_layers=pml_layers,
+                    geometry=geometry,
+                    sources=sources,
+                    resolution=resolution)
+    sim.run(until=200)
+    EOF
+  '';
+
   meta = with lib; {
     description = "Free finite-difference time-domain (FDTD) software for electromagnetic simulations";
     homepage = "https://meep.readthedocs.io/en/latest/";

diff --git a/pythonPackages.nix b/pythonPackages.nix
@@ -10,6 +10,7 @@ let
   lib = selfPkgs.pkgs.lib;
 
   overlay = {
+
     pychemps2 = callPackage ./pkgs/apps/chemps2/PyChemMPS2.nix { };
 
   } // lib.optionalAttrs super.isPy3k {
@@ -23,6 +24,8 @@ let
     gau2grid-1_3_1 = callPackage ./pkgs/apps/gau2grid { version = "1.3.1"; sha256 = "0zkfil7cxjip79wqvhljk1ifjq0cwxzx6wlxgp63b6wbagma0i12"; };
     gau2grid-2_0_4 = callPackage ./pkgs/apps/gau2grid { version = "2.0.4"; sha256 = "0qypq8iax0n6yfi4223zya468v24b60nr0x43ypmsafj0104zqa6"; };
 
+    meep = callPackage ./pkgs/apps/meep { };
+
     pylibefp = callPackage ./pkgs/lib/pylibefp { };
 
     psi4 = callPackage ./pkgs/apps/psi4 {