Unverified Commit 6d3e8108 authored by Gergő Gutyina's avatar Gergő Gutyina Committed by GitHub
Browse files

siesta: 5.2.2 -> 5.4.1; migrate to by-name (#468008)

parents 0ab0efbb 172a6157

pkgs/applications/science/chemistry/siesta/default.nix→pkgs/by-name/si/siesta/package.nix

+5 −11
Original line number Diff line number Diff line
@@ -13,11 +13,12 @@ 
  readline,

  ninja,

  elpa,

  nix-update-script,

}:



stdenv.mkDerivation (finalAttrs: {

  pname = "siesta";

  version = "5.2.2";

  version = "5.4.1";



  src = fetchFromGitLab {

    owner = "siesta-project";
@@ -29,6 +30,7 @@ stdenv.mkDerivation (finalAttrs: { 


  passthru = {

    inherit mpi;

    updateScript = nix-update-script { };

  };



  nativeBuildInputs = [
@@ -59,14 +61,7 @@ stdenv.mkDerivation (finalAttrs: { 


  enableParallelBuilding = false; # Started making trouble with gcc-11



  preBuild = ''

    # See https://gitlab.com/siesta-project/siesta/-/commit/a10bf1628e7141ba263841889c3503c263de1582

    # This may be fixed in the next release.

    makeFlagsArray=(

        FFLAGS="-fallow-argument-mismatch"

    )

  ''

  + (

  preBuild =

    if useMpi then

      ''

        makeFlagsArray+=(
@@ -80,8 +75,7 @@ stdenv.mkDerivation (finalAttrs: { 
        makeFlagsArray+=(

          COMP_LIBS="" LIBS="-lblas -llapack"

        );

      ''

  );

      '';



  meta = {

    description = "First-principles materials simulation code using DFT";

pkgs/top-level/all-packages.nix

+1 −3
Original line number Diff line number Diff line
@@ -12421,9 +12421,7 @@ with pkgs; 
    hdf5 = hdf5-fortran;

  };



  siesta = callPackage ../applications/science/chemistry/siesta { };



  siesta-mpi = callPackage ../applications/science/chemistry/siesta { useMpi = true; };

  siesta-mpi = callPackage ../by-name/si/siesta/package.nix { useMpi = true; };



  ### SCIENCE/BIOLOGY