about summary refs log tree commit diff
path: root/pkgs/applications/science/chemistry
diff options
context:
space:
mode:
authorVladimír Čunát <v@cunat.cz>2019-08-24 08:19:05 +0200
committerVladimír Čunát <v@cunat.cz>2019-08-24 08:55:37 +0200
commit2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1 (patch)
tree36de0660dc2c9f3731bd8b60ec852ca0c452efce /pkgs/applications/science/chemistry
parent84a91208a948be5eca97ea182c4256d9d6ecf171 (diff)
parent8943fb5f24b9e1aa1d577be4e214d166643269fd (diff)
downloadnixlib-2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1.tar
nixlib-2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1.tar.gz
nixlib-2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1.tar.bz2
nixlib-2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1.tar.lz
nixlib-2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1.tar.xz
nixlib-2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1.tar.zst
nixlib-2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1.zip
Merge branch 'master' into staging-next
There ver very many conflicts, basically all due to
name -> pname+version.  Fortunately, almost everything was auto-resolved
by kdiff3, and for now I just fixed up a couple evaluation problems,
as verified by the tarball job.  There might be some fallback to these
conflicts, but I believe it should be minimal.

Hydra nixpkgs: ?compare=1538299
Diffstat (limited to 'pkgs/applications/science/chemistry')
-rw-r--r--pkgs/applications/science/chemistry/octopus/default.nix26
1 files changed, 12 insertions, 14 deletions
diff --git a/pkgs/applications/science/chemistry/octopus/default.nix b/pkgs/applications/science/chemistry/octopus/default.nix
index dfb04ccd1de9..6dec5b3b11f1 100644
--- a/pkgs/applications/science/chemistry/octopus/default.nix
+++ b/pkgs/applications/science/chemistry/octopus/default.nix
@@ -1,28 +1,26 @@
-{ stdenv, fetchurl, symlinkJoin, gfortran, perl, procps
-, libyaml, libxc, fftw, openblas, gsl, netcdf, arpack
+{ stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps
+, libyaml, libxc, fftw, openblas, gsl, netcdf, arpack, autoreconfHook
 }:
 
-let
-  version = "9.0";
-  fftwAll = symlinkJoin { name ="ftw-dev-out"; paths = [ fftw.dev fftw.out ]; };
-
-in stdenv.mkDerivation {
+stdenv.mkDerivation rec {
   pname = "octopus";
-  inherit version;
+  version = "9.1";
 
-  src = fetchurl {
-    url = "http://www.tddft.org/programs/octopus/down.php?file=${version}/octopus-${version}.tar.gz";
-    sha256 = "0p1gjykjnzm4m93mgjsmnxd0n2j381jk5kn3a7gkzxanixp60ilm";
+  src = fetchFromGitLab {
+    owner = "octopus-code";
+    repo = "octopus";
+    rev = version;
+    sha256 = "1l5fqgllk7rij16q7a3la7qq6isy8a5n37vk400qcscw1v32s90h";
   };
 
-  nativeBuildInputs = [ perl procps fftw.dev ];
-  buildInputs = [ libyaml gfortran libxc openblas gsl fftw.out netcdf arpack ];
+  nativeBuildInputs = [ perl procps autoreconfHook ];
+  buildInputs = [ libyaml gfortran libxc openblas gsl fftw netcdf arpack ];
 
   configureFlags = [
     "--with-yaml-prefix=${libyaml}"
     "--with-blas=-lopenblas"
     "--with-lapack=-lopenblas"
-    "--with-fftw-prefix=${fftwAll}"
+    "--with-fftw-prefix=${fftw.dev}"
     "--with-gsl-prefix=${gsl}"
     "--with-libxc-prefix=${libxc}"
   ];