From 0961d5b99897244627603db67fdd05b2bc1bebea Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@fysik.su.se>
Date: Sat, 9 Jan 2021 16:30:12 +0100
Subject: [PATCH 1/2] octopus: update licenses

---
 pkgs/applications/science/chemistry/octopus/default.nix | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/pkgs/applications/science/chemistry/octopus/default.nix b/pkgs/applications/science/chemistry/octopus/default.nix
index f8eb064e1fd..4d186af6c09 100644
--- a/pkgs/applications/science/chemistry/octopus/default.nix
+++ b/pkgs/applications/science/chemistry/octopus/default.nix
@@ -44,7 +44,7 @@ stdenv.mkDerivation rec {
     description = "Real-space time dependent density-functional theory code";
     homepage = "https://octopus-code.org";
     maintainers = with maintainers; [ markuskowa ];
-    license = licenses.gpl2;
+    license = with licenses; [ gpl2Only asl20 lgpl3Plus bsd3 ];
     platforms = [ "x86_64-linux" ];
   };
 }

From 14caa4b2bfcd815360ed8a003150a6f73a200f15 Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@fysik.su.se>
Date: Sat, 9 Jan 2021 16:29:58 +0100
Subject: [PATCH 2/2] octopus: 10.0 -> 10.3

---
 .../science/chemistry/octopus/default.nix      | 18 +++++++++++++++---
 1 file changed, 15 insertions(+), 3 deletions(-)

diff --git a/pkgs/applications/science/chemistry/octopus/default.nix b/pkgs/applications/science/chemistry/octopus/default.nix
index 4d186af6c09..05f93a1a205 100644
--- a/pkgs/applications/science/chemistry/octopus/default.nix
+++ b/pkgs/applications/science/chemistry/octopus/default.nix
@@ -1,22 +1,34 @@
 { stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps
 , libyaml, libxc, fftw, blas, lapack, gsl, netcdf, arpack, autoreconfHook
+, python3
 }:
 
 assert (!blas.isILP64) && (!lapack.isILP64);
 
 stdenv.mkDerivation rec {
   pname = "octopus";
-  version = "10.0";
+  version = "10.3";
 
   src = fetchFromGitLab {
     owner = "octopus-code";
     repo = "octopus";
     rev = version;
-    sha256 = "1c6q20y0x9aacwa7vp6gj3yvfzain7hnk6skxmvg3wazp02l91kn";
+    sha256 = "1axr3j53mi30gm3f645ga5jkhxbc7rbx432w2k2lgg6g9dv3fcs4";
   };
 
   nativeBuildInputs = [ perl procps autoreconfHook ];
-  buildInputs = [ libyaml gfortran libxc blas lapack gsl fftw netcdf arpack ];
+  buildInputs = [
+    libyaml
+    gfortran
+    libxc
+    blas
+    lapack
+    gsl
+    fftw
+    netcdf
+    arpack
+    (python3.withPackages (ps: [ ps.pyyaml ]))
+  ];
 
   configureFlags = [
     "--with-yaml-prefix=${libyaml}"