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Working MEEP in pythonPackages #1

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Jun 11, 2021
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Working MEEP in pythonPackages #1

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47fbc90
Moved MEEP to pythonPackages and got it to work, finally.
FabianGD Jun 11, 2021
1018aa3
Added checkPhase to meep. However, does not work yet. :(
FabianGD Jun 11, 2021
5e851ed
checkPhase is now able to find MEEP, however it seems that MPI is not…
FabianGD Jun 11, 2021
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2 changes: 0 additions & 2 deletions default.nix
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Original file line number Diff line number Diff line change
Expand Up @@ -158,8 +158,6 @@ let

mctdh = callPackage ./pkgs/apps/mctdh { };

meep = callPackage ./pkgs/apps/meep { };

mesa-qc = callPackage ./pkgs/apps/mesa {
gfortran = final.gfortran6;
};
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55 changes: 51 additions & 4 deletions pkgs/apps/meep/default.nix
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@@ -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";

Expand All @@ -17,9 +20,12 @@ stdenv.mkDerivation rec {
autoreconfHook
gfortran
pkg-config
swig
mpi
];

buildInputs = [
gsl
blas
lapack
fftw
Expand All @@ -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/";
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3 changes: 3 additions & 0 deletions pythonPackages.nix
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Expand Up @@ -10,6 +10,7 @@ let
lib = selfPkgs.pkgs.lib;

overlay = {

pychemps2 = callPackage ./pkgs/apps/chemps2/PyChemMPS2.nix { };

} // lib.optionalAttrs super.isPy3k {
Expand All @@ -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 {
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