Commit 81ea1a36 authored by Valentin Reis's avatar Valentin Reis
Browse files

[ci] adds a vendored qmcpack package for CI purposes.

parent 403de680
Pipeline #12002 failed with stages
in 2 minutes and 6 seconds
......@@ -142,6 +142,11 @@ pkgs // rec {
nas = callPackage ./pkgs/nas { };
qmcpack = callPackage ./pkgs/qmcpack {
inherit libnrm;
nrmSupport = false;
};
amg = callPackage ./pkgs/amg {
inherit libnrm;
nrmSupport = false;
......
{ stdenv, fetchgit, mpich2, cmake, liblapack, openblasCompat, fftw, libxml2
, hdf5, pythonPackages, hdf5-fortran, gfortran, boost, libnrm
, nrmSupport ? false }:
let inherit (stdenv.lib) optional optionals;
in stdenv.mkDerivation {
src = fetchgit ({
url = "https://xgitlab.cels.anl.gov/argo/applications/qmcpack.git";
} // (if nrmSupport then {
rev = "refs/heads/progress-nrm";
sha256 = "0ij1xy0al02m5236srlfs078wlsiijp2kcmsgk4yvknavknbvn5n";
} else {
rev = "refs/heads/master";
sha256 = "0fdlvmg0ri4mpwdxx4ky8mxc4rlkrq25smqld8b02lgjw1dvclki";
}));
name = "qmcpack";
cmakeFlags = [
"-DCMAKE_C_COMPILER=${mpich2}/bin/mpicc"
"-DCMAKE_CXX_COMPILER=${mpich2}/bin/mpic++"
"-DQMC_OMP=0"
"-DCFLAGS=-O2"
] ++ optionals nrmSupport [
"-DQMC_INCLUDE=${libnrm}/include/"
"-DQMC_EXTRA_LIBS=${libnrm}/lib/libnrm.so"
];
nativeBuildInputs = [ cmake mpich2 ];
buildInputs = [
liblapack
openblasCompat
fftw
libxml2
hdf5
hdf5-fortran
pythonPackages.numpy
gfortran
boost
] ++ (optional nrmSupport libnrm);
propagatedBuildInputs = [ pythonPackages.numpy ];
enableParallelBuilding = true;
dontUseCmakeBuildDir = true;
preConfigure = ''
cmakeDir=$PWD
cd build
'';
installPhase = ''
mkdir -p $out
cp -r * $out
'';
LIBXML2_HOME = "${libxml2}/lib";
}
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