Simple update

Makefile

@@ -9,7 +9,7 @@ include ./bench/config.mk
 
 MAIN = README.org
 
-$(SOURCES_FILE): $(MAIN)
+$(SOURCES_FILE): $(MAIN) config.el
 	echo -n "SOURCES = " > $@
 	$(EMACS) --eval '(atrip-print-sources)' >> $@
 

bench/test_main.cxx

@@ -28,6 +28,9 @@ int main(int argc, char** argv) {
     , Vppph(4, vvvo.data(), symmetries.data(), world)
     ;
 
+  atrip::Atrip::init();
+  atrip::Atrip::run({&ei, &ea, &Tph, &Tpphh, &Vpphh, &Vhhhp, &Vppph});
+
   std::cout << "Hello world" << std::endl;
   MPI_Finalize();
   return 0;

config.el

@@ -1,4 +1,5 @@
 (require 'subr-x)
+(require 'org)
 
 (defun f-join (&rest args)
   (string-join args "/"))
@@ -7,11 +8,29 @@
 (defun atrip-print-sources ()
   (princ (string-join atrip-sources " ")))
 
+(defvar atrip-include-f "include/atrip") ;; TODO: create defvar
+(defvar atrip-src-f "src/atrip")         ;; TODO: create defvar
+
 (defmacro atrip-def (name body) `(progn (defun ,name () ,body)
                                              (push (,name) atrip-sources)))
 
+
+(defmacro atrip-def-src (name body)
+  `(atrip-def ,name (f-join atrip-src-f ,body)))
+(defmacro atrip-def-hdr (name body)
+  `(atrip-def ,name (f-join atrip-include-f ,body)))
+
 ;; atrip variables for the org-mode file
-(atrip-def atrip-include-f "include/atrip")
-(atrip-def atrip-slice-h (f-join (atrip-include-f) "Slice.hpp"))
-(atrip-def atrip-utils-h (f-join (atrip-include-f) "Utils.hpp"))
+(atrip-def-hdr atrip-slice-h "Slice.hpp")
+(atrip-def-hdr atrip-slice-union-h "SliceUnion.hpp")
+(atrip-def-hdr atrip-utils-h "Utils.hpp")
+(atrip-def-hdr atrip-blas-h "Blas.hpp")
+(atrip-def-hdr atrip-rankmap-h "RankMap.hpp")
+(atrip-def-hdr atrip-unions-h "Unions.hpp")
+(atrip-def-hdr atrip-tuples-h "Tuples.hpp")
+(atrip-def-hdr atrip-equations-h "Equations.hpp")
+
+(atrip-def-hdr atrip-atrip-h "Atrip.hpp")
+(atrip-def-src atrip-atrip-cxx "Atrip.cxx")
+
 (atrip-def atrip-main-h   "include/atrip.hpp")

etc/config/gcc.mk

@@ -6,5 +6,6 @@ CXXFLAGS += -I$(ATRIP_ROOT)/include
 
 CXXFLAGS += -I$(CTF_INCLUDE_PATH)
 LDFLAGS += -Wl,-Bstatic -L$(CTF_BUILD_PATH)/lib -lctf
-LDFLAGS += -fopenmp -L/usr/lib -lscalapack -L/opt/OpenBLAS/lib -lopenblas
+LDFLAGS += -fopenmp -L/usr/lib -L/opt/OpenBLAS/lib -lopenblas
+LDFLAGS += -L/usr/local/lib -lscalapack
 LDFLAGS += -Wl,-Bdynamic

etc/make/ctf_vars.mk

@@ -1,8 +1,8 @@
 CTF_REPOSITORY = https://github.com/cyclops-community/ctf
 CTF_COMMIT    ?= v1.5.0
 
-CTF_SRC_PATH     = $(ATRIP_ROOT)/lib/src/ctf/$(CTF_COMMIT)
-CTF_BUILD_PATH   = $(ATRIP_ROOT)/lib/build/ctf/$(CTF_COMMIT)
+CTF_SRC_PATH     = $(ATRIP_ROOT)/extern/src/ctf/$(CTF_COMMIT)
+CTF_BUILD_PATH   = $(ATRIP_ROOT)/extern/build/ctf/$(CTF_COMMIT)
 
 CTF_CONFIG_FLAGS =
 

etc/make/emacs.mk

@@ -1,5 +1,5 @@
 EMACS = emacs -q --batch --load config.el
 define tangle
-$(EMACS) $(1) --eval "(require 'org)" --eval '(org-babel-tangle)'
+$(EMACS) $(1) --eval '(org-babel-tangle)'
 endef
 

etc/nix/scalapack.nix

@@ -0,0 +1,56 @@
+{ lib, stdenv, fetchFromGitHub, cmake, openssh
+, gfortran, mpi, blas, lapack
+} :
+
+assert (!blas.isILP64) && (!lapack.isILP64);
+
+stdenv.mkDerivation rec {
+  pname = "scalapack";
+  version = "2.1.0";
+
+  src = fetchFromGitHub {
+    owner = "Reference-ScaLAPACK";
+    repo = pname;
+    rev = "v${version}";
+    sha256 = "1c10d18gj3kvpmyv5q246x35hjxaqn4ygy1cygaydhyxnm4klzdj";
+  };
+
+  nativeBuildInputs = [ cmake openssh ];
+  buildInputs = [ mpi gfortran blas lapack ];
+
+  doCheck = false;
+
+  preConfigure = ''
+    cmakeFlagsArray+=(
+      -DBUILD_SHARED_LIBS=ON -DBUILD_STATIC_LIBS=ON
+      -DLAPACK_LIBRARIES="-llapack"
+      -DBLAS_LIBRARIES="-lblas"
+      )
+  '';
+
+  # Increase individual test timeout from 1500s to 10000s because hydra's builds
+  # sometimes fail due to this
+  checkFlagsArray = [ "ARGS=--timeout 10000" ];
+
+  preCheck = ''
+    # make sure the test starts even if we have less than 4 cores
+    export OMPI_MCA_rmaps_base_oversubscribe=1
+
+    # Fix to make mpich run in a sandbox
+    export HYDRA_IFACE=lo
+
+    # Run single threaded
+    export OMP_NUM_THREADS=1
+
+    export LD_LIBRARY_PATH=$LD_LIBRARY_PATH''${LD_LIBRARY_PATH:+:}`pwd`/lib
+  '';
+
+  meta = with lib; {
+    homepage = "http://www.netlib.org/scalapack/";
+    description = "Library of high-performance linear algebra routines for parallel distributed memory machines";
+    license = licenses.bsd3;
+    platforms = [ "x86_64-linux" ];
+    maintainers = with maintainers; [ costrouc markuskowa ];
+  };
+
+}

shell.nix

@@ -14,4 +14,23 @@ pkgs.mkShell rec {
     emacs
   ];
 
+  scalapack = import ./etc/nix/scalapack.nix {
+    lib = pkgs.lib;
+    stdenv = pkgs.stdenv;
+    fetchFromGitHub = pkgs.fetchFromGitHub;
+    cmake = pkgs.cmake;
+    openssh = pkgs.openssh;
+    gfortran = pkgs.gfortran;
+    mpi = pkgs.mpi;
+    blas = pkgs.blas;
+    lapack = pkgs.lapack;
+  };
+
+  shellHook = ''
+    export LAPACK_PATH=${pkgs.lapack}
+    export BLAS_PATH=${pkgs.blas}
+    export SCALAPACK_PATH=${scalapack}
+    export LD_LIBRARY_PATH=${scalapack}/lib:$LD_LIBRARY_PATH
+  '';
+
 }