lol

octopus: 7.2 -> 8.1 (libxc 3.0.1 -> 4.2.3) (#43484)

authored by

markuskowa and committed by
xeji
7f1bcb1e e9585e23

+8 -6
+6 -4
pkgs/applications/science/chemistry/octopus/default.nix
··· 1 1 { stdenv, fetchurl, symlinkJoin, gfortran, perl, procps 2 - , libyaml, libxc, fftw, openblas, gsl 2 + , libyaml, libxc, fftw, openblas, gsl, netcdf, arpack 3 3 }: 4 4 5 5 let 6 - version = "7.3"; 6 + version = "8.1"; 7 7 fftwAll = symlinkJoin { name ="ftw-dev-out"; paths = [ fftw.dev fftw.out ]; }; 8 8 9 9 in stdenv.mkDerivation { ··· 11 11 12 12 src = fetchurl { 13 13 url = "http://www.tddft.org/programs/octopus/down.php?file=${version}/octopus-${version}.tar.gz"; 14 - sha256 = "0hnpqjjxdxh2ggf6ckrsy4hs9iglnazscb4siczddvmysi4kv15d"; 14 + sha256 = "0rxwvcp22364nnhwhqlr38w4rwv1yl60snxi2f8nqdflx1143n10"; 15 15 }; 16 16 17 17 nativeBuildInputs = [ perl procps fftw.dev ]; 18 - buildInputs = [ libyaml gfortran libxc openblas gsl fftw.out ]; 18 + buildInputs = [ libyaml gfortran libxc openblas gsl fftw.out netcdf arpack ]; 19 19 20 20 configureFlags = '' 21 21 --with-yaml-prefix=${libyaml} ··· 36 36 postConfigure = '' 37 37 patchShebangs testsuite/oct-run_testsuite.sh 38 38 ''; 39 + 40 + enableParallelBuilding = true; 39 41 40 42 meta = with stdenv.lib; { 41 43 description = "Real-space time dependent density-functional theory code";
+2 -2
pkgs/development/libraries/libxc/default.nix
··· 1 1 { stdenv, fetchurl, gfortran, perl }: 2 2 3 3 let 4 - version = "3.0.1"; 4 + version = "4.2.3"; 5 5 6 6 in stdenv.mkDerivation { 7 7 name = "libxc-${version}"; 8 8 src = fetchurl { 9 9 url = "http://www.tddft.org/programs/octopus/down.php?file=libxc/${version}/libxc-${version}.tar.gz"; 10 - sha256 = "1xyac89yx03vm86rvk07ps1d39xss3amw46a1k53mv30mgr94rl3"; 10 + sha256 = "0mj26jga0nj76blf2rp9cmgf0v0yhsp7xrg92zgih7fjlydrxr02"; 11 11 }; 12 12 13 13 buildInputs = [ gfortran ];