Commit d5b44d07 authored by Valentin Reis's avatar Valentin Reis

qmcpack

parent ad06628c
{ stdenv, fetchgit, mpich2, cmake, liblapack, blas, fftw, libxml2, hdf5, pythonPackages, hdf5-fortran}:
{ stdenv, fetchgit, openmpi, cmake, liblapack, openblas, fftw, libxml2, hdf5, pythonPackages, hdf5-fortran, gfortran}:
stdenv.mkDerivation {
name = "qmcpack";
src = fetchgit {
......@@ -7,22 +7,21 @@ stdenv.mkDerivation {
rev="1009b07ad6fa873d71a0755747e6a7f610eb169b";
};
#phases = ["unpackPhase" "installPhase"];
#cmakeFlags = [
#"-DHDF5_INCLUDE_DIRS=${hdf5-cpp}/include"
#"-DHDF5_ROOT=${hdf5-cpp}/"
#"-DHDF5_LIBRARIES=${hdf5}/lib"
#"-DHDF5_LIBRARY_DIRS=${hdf5}/lib"
#"-DHDF5_FOUND=true"
#] ;
cmakeFlags = [
"-DCMAKE_C_COMPILER=${openmpi}/bin/mpicc"
"-DCMAKE_CXX_COMPILER=${openmpi}/bin/mpic++"
];
nativeBuildInputs = [ cmake ];
buildInputs = [ liblapack blas fftw libxml2 hdf5 hdf5-fortran pythonPackages.numpy];
nativeBuildInputs = [ cmake openmpi ];
buildInputs = [ liblapack openblas fftw libxml2 hdf5 hdf5-fortran pythonPackages.numpy gfortran ];
propagatedBuildInputs = [ pythonPackages.numpy ];
#buildPhase = "make ZMQ_PATH=${zeromq} MPI_INCLUDE=${mpich2}";
#propagatedBuildInputs = [zulu];
dontUseCmakeBuildDir = true;
preConfigure = ''
cmakeDir=$PWD
cd build
'';
#installPhase = ''
#mkdir -p $out/bin
......
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