Merge commit '22a3bf9fb9edad917fb6cd1066d58b5e426ee975'

10 files changed, 30 insertions, 26 deletions

diff --git a/nixpkgs/pkgs/applications/science/chemistry/avogadro/default.nix b/nixpkgs/pkgs/applications/science/chemistry/avogadro/default.nix
index 6aca678480da..96dea10333b3 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/avogadro/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/avogadro/default.nix
@@ -16,7 +16,7 @@ stdenv.mkDerivation rec {
 
   patches = [
     (fetchurl {
-      url = https://data.gpo.zugaina.org/fusion809/sci-chemistry/avogadro/files/avogadro-1.1.0-xlibs.patch;
+      url = "https://data.gpo.zugaina.org/fusion809/sci-chemistry/avogadro/files/avogadro-1.1.0-xlibs.patch";
       sha256 = "1p113v19z3zwr9gxj2k599f8p97a8rwm93pa4amqvd0snn31mw0k";
     })
   ];
diff --git a/nixpkgs/pkgs/applications/science/chemistry/gwyddion/default.nix b/nixpkgs/pkgs/applications/science/chemistry/gwyddion/default.nix
index cd8b93c9aac7..dec63910f709 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/gwyddion/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/gwyddion/default.nix
@@ -12,7 +12,7 @@
   zlibSupport ? true, zlib ? null,
   libuniqueSupport ? true, libunique ? null,
   libpngSupport ? true, libpng ? null,
-  openglSupport ? true
+  openglSupport ? !stdenv.isDarwin
 }:
 
 assert openexrSupport -> openexr != null;
@@ -45,7 +45,7 @@ stdenv.mkDerivation rec {
   
   buildInputs = with stdenv.lib;
     [ gtk2 fftw ] ++
-    optionals openglSupport [gnome2.gtkglext] ++
+    optional openglSupport gnome2.gtkglext ++
     optional openexrSupport openexr ++
     optional libXmuSupport xorg.libXmu ++
     optional fitsSupport cfitsio ++
@@ -65,7 +65,7 @@ stdenv.mkDerivation rec {
   # it is disabled.
   patches = [ ./codegen.patch ];
   meta = {
-    homepage = http://gwyddion.net/;
+    homepage = "http://gwyddion.net/";
 
     description = "Scanning probe microscopy data visualization and analysis";
 
@@ -80,7 +80,7 @@ stdenv.mkDerivation rec {
       spectrophotometry.
     '';
     license = stdenv.lib.licenses.gpl2;
-    platforms = stdenv.lib.platforms.linux;
+    platforms = with stdenv.lib.platforms; linux ++ darwin;
     maintainers = [ stdenv.lib.maintainers.cge ];
   };
 }
diff --git a/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix b/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix
index 7259705bc804..f52621dd71af 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix
@@ -45,7 +45,7 @@ stdenv.mkDerivation rec {
 
   meta = with stdenv.lib; {
      description = "A Java 3D viewer for chemical structures";
-     homepage = https://sourceforge.net/projects/jmol;
+     homepage = "https://sourceforge.net/projects/jmol";
      license = licenses.lgpl2;
      platforms = platforms.all;
      maintainers = with maintainers; [ timokau mounium ];
diff --git a/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix b/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix
index 2c155e4e848f..c54fb3444bb0 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix
@@ -4,12 +4,12 @@ with stdenv.lib;
 
 stdenv.mkDerivation rec {
   pname = "marvin";
-  version = "20.6.0";
+  version = "20.9.0";
 
   src = fetchurl {
     name = "marvin-${version}.deb";
     url = "http://dl.chemaxon.com/marvin/${version}/marvin_linux_${versions.majorMinor version}.deb";
-    sha256 = "1vd1hsj36wzghpn6xnppjmva35kdcin7h0xdj3xmi4w5l3qw7fl6";
+    sha256 = "1c6q1vb96jsb37g5qbhzcnasd5pdqjyc190yg3caw3gwrd97889q";
   };
 
   nativeBuildInputs = [ dpkg makeWrapper ];
@@ -40,7 +40,7 @@ stdenv.mkDerivation rec {
 
   meta = {
     description = "A chemical modelling, analysis and structure drawing program";
-    homepage = https://chemaxon.com/products/marvin;
+    homepage = "https://chemaxon.com/products/marvin";
     maintainers = with maintainers; [ fusion809 ];
     license = licenses.unfree;
     platforms = platforms.linux;
diff --git a/nixpkgs/pkgs/applications/science/chemistry/molden/default.nix b/nixpkgs/pkgs/applications/science/chemistry/molden/default.nix
index 87dae3b14d9e..5e5df85a5279 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/molden/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/molden/default.nix
@@ -31,10 +31,10 @@ stdenv.mkDerivation rec {
 
   meta = with stdenv.lib; {
      description = "Display and manipulate molecular structures";
-     homepage = http://www.cmbi.ru.nl/molden/;
+     homepage = "http://www.cmbi.ru.nl/molden/";
      license = {
        fullName = "Free for academic/non-profit use";
-       url = http://www.cmbi.ru.nl/molden/CopyRight.html;
+       url = "http://www.cmbi.ru.nl/molden/CopyRight.html";
        free = false;
      };
      platforms = platforms.linux;
diff --git a/nixpkgs/pkgs/applications/science/chemistry/octopus/default.nix b/nixpkgs/pkgs/applications/science/chemistry/octopus/default.nix
index a5abbe2d1de6..f30954367cf7 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/octopus/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/octopus/default.nix
@@ -1,7 +1,9 @@
 { stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps
-, libyaml, libxc, fftw, openblas, gsl, netcdf, arpack, autoreconfHook
+, libyaml, libxc, fftw, blas, lapack, gsl, netcdf, arpack, autoreconfHook
 }:
 
+assert (!blas.is64bit) && (!lapack.is64bit);
+
 stdenv.mkDerivation rec {
   pname = "octopus";
   version = "9.2";
@@ -14,12 +16,12 @@ stdenv.mkDerivation rec {
   };
 
   nativeBuildInputs = [ perl procps autoreconfHook ];
-  buildInputs = [ libyaml gfortran libxc openblas gsl fftw netcdf arpack ];
+  buildInputs = [ libyaml gfortran libxc blas lapack gsl fftw netcdf arpack ];
 
   configureFlags = [
     "--with-yaml-prefix=${libyaml}"
-    "--with-blas=-lopenblas"
-    "--with-lapack=-lopenblas"
+    "--with-blas=-lblas"
+    "--with-lapack=-llapack"
     "--with-fftw-prefix=${fftw.dev}"
     "--with-gsl-prefix=${gsl}"
     "--with-libxc-prefix=${libxc}"
@@ -40,7 +42,7 @@ stdenv.mkDerivation rec {
 
   meta = with stdenv.lib; {
     description = "Real-space time dependent density-functional theory code";
-    homepage = https://octopus-code.org;
+    homepage = "https://octopus-code.org";
     maintainers = with maintainers; [ markuskowa ];
     license = licenses.gpl2;
     platforms = [ "x86_64-linux" ];
diff --git a/nixpkgs/pkgs/applications/science/chemistry/openmolcas/default.nix b/nixpkgs/pkgs/applications/science/chemistry/openmolcas/default.nix
index d73e86d2f577..0d74e784d772 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/openmolcas/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/openmolcas/default.nix
@@ -1,9 +1,11 @@
 { stdenv, fetchFromGitLab, cmake, gfortran, perl
-, openblas, hdf5-cpp, python3, texlive
+, openblas, blas, lapack, hdf5-cpp, python3, texlive
 , armadillo, openmpi, globalarrays, openssh
 , makeWrapper, fetchpatch
 } :
 
+assert blas.implementation == "openblas" && lapack.implementation == "openblas";
+
 let
   version = "19.11";
   gitLabRev = "v${version}";
@@ -74,7 +76,7 @@ in stdenv.mkDerivation {
 
   meta = with stdenv.lib; {
     description = "Advanced quantum chemistry software package";
-    homepage = https://gitlab.com/Molcas/OpenMolcas;
+    homepage = "https://gitlab.com/Molcas/OpenMolcas";
     maintainers = [ maintainers.markuskowa ];
     license = licenses.lgpl21;
     platforms = platforms.linux;
diff --git a/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix b/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix
index e8b3b23ddd9d..474986901225 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix
@@ -50,7 +50,7 @@ python3Packages.buildPythonApplication rec {
 
   meta = with lib; {
     description = description;
-    homepage = https://www.pymol.org/;
+    homepage = "https://www.pymol.org/";
     license = licenses.mit;
     maintainers = with maintainers; [ samlich ];
   };
diff --git a/nixpkgs/pkgs/applications/science/chemistry/quantum-espresso/default.nix b/nixpkgs/pkgs/applications/science/chemistry/quantum-espresso/default.nix
index bd420519ce01..2443e6b23aba 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/quantum-espresso/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/quantum-espresso/default.nix
@@ -1,5 +1,5 @@
 { stdenv, fetchurl
-, gfortran, fftw, openblas
+, gfortran, fftw, blas, lapack
 , mpi ? null
 }:
 
@@ -20,7 +20,7 @@ stdenv.mkDerivation rec {
     patchShebangs configure
   '';
 
-  buildInputs = [ fftw openblas gfortran ]
+  buildInputs = [ fftw blas lapack gfortran ]
     ++ (stdenv.lib.optionals (mpi != null) [ mpi ]);
 
 configureFlags = if (mpi != null) then [ "LD=${mpi}/bin/mpif90" ] else [ "LD=${gfortran}/bin/gfortran" ];
diff --git a/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix b/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix
index 9d7880f57df5..c053c0a09cdf 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix
@@ -1,5 +1,5 @@
 { stdenv, fetchurl
-, gfortran, openblas
+, gfortran, blas, lapack
 , mpi ? null, scalapack
 }:
 
@@ -16,7 +16,7 @@ stdenv.mkDerivation {
     inherit mpi;
   };
 
-  buildInputs = [ openblas gfortran ]
+  buildInputs = [ blas lapack gfortran ]
     ++ (stdenv.lib.optionals (mpi != null) [ mpi scalapack ]);
 
   enableParallelBuilding = true;
@@ -33,11 +33,11 @@ stdenv.mkDerivation {
     makeFlagsArray=(
         CC="mpicc" FC="mpifort"
         FPPFLAGS="-DMPI" MPI_INTERFACE="libmpi_f90.a" MPI_INCLUDE="."
-        COMP_LIBS="" LIBS="-lopenblas -lscalapack"
+        COMP_LIBS="" LIBS="-lblas -llapack -lscalapack"
     );
   '' else ''
     makeFlagsArray=(
-      COMP_LIBS="" LIBS="-lopenblas"
+      COMP_LIBS="" LIBS="-lblas -llapack"
     );
   '';
 
@@ -61,7 +61,7 @@ stdenv.mkDerivation {
          matching the quality of other approaches, such as plane-wave
          and all-electron methods.
       '';
-    homepage = https://www.quantum-espresso.org/;
+    homepage = "https://www.quantum-espresso.org/";
     license = licenses.gpl2;
     platforms = [ "x86_64-linux" ];
     maintainers = [ maintainers.costrouc ];