2.3.1 Release Prepartion (#126)

* Warning removal. * Archer makefile. * Beautify for 2.3.1 I also changed the version number.
william-dawson · May 10, 2019 · b034c9e · b034c9e
1 parent e10113f
commit b034c9e
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Showing 11 changed files with 32 additions and 11 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -1,7 +1,7 @@
 ################################################################################
 ## Basic Setup
 cmake_minimum_required (VERSION 3.2)
-project(NTPoly VERSION 2.3)
+project(NTPoly VERSION 2.3.1)
 enable_language(Fortran)
 
 ################################################################################

diff --git a/Examples/ComplexMatrix/main.cc b/Examples/ComplexMatrix/main.cc
@@ -47,7 +47,7 @@ void ConstructGuoMatrix(const NTPoly::Matrix_ps &InMat,
     temp = tlist.GetTripletAt(i);
     temp_c.index_row = temp.index_row;
     temp_c.index_column = temp.index_column;
-    temp_c.point_value = std::complex<double>(0.0,1.0);
+    temp_c.point_value = std::complex<double>(0.0, 1.0);
     clist.Append(temp_c);
   }
   NTPoly::Matrix_ps CMatrix(SMat.GetActualDimension());

diff --git a/Examples/GraphTheory/main.py b/Examples/GraphTheory/main.py
@@ -1,4 +1,6 @@
 # Generic modules
+import random
+import numpy
 import sys
 
 # NT Poly
@@ -8,9 +10,6 @@
 from mpi4py import MPI
 comm = MPI.COMM_WORLD
 
-import numpy
-
-import random
 
 ##########################################################################
 if __name__ == "__main__":

diff --git a/Examples/HydrogenAtom/main.py b/Examples/HydrogenAtom/main.py
@@ -1,4 +1,5 @@
 # Generic modules
+import numpy
 import sys
 
 # NTPoly
@@ -8,7 +9,6 @@
 from mpi4py import MPI
 comm = MPI.COMM_WORLD
 
-import numpy
 
 ##########################################################################
 if __name__ == "__main__":

diff --git a/Examples/MatrixMaps/main.py b/Examples/MatrixMaps/main.py
@@ -20,6 +20,7 @@ def __call__(self):
             return True
         return False
 
+
 ##########################################################################
 if __name__ == "__main__":
     rank = comm.Get_rank()

diff --git a/Source/C/EigenBounds_c.h b/Source/C/EigenBounds_c.h
@@ -6,5 +6,5 @@ void GershgorinBounds_wrp(const int *ih_Hamiltonian, double *max_value,
 void PowerBounds_wrp(const int *ih_Hamiltonian, double *max_value,
                      const int *ih_solver_parameters);
 void DistributedEigenDecomposition_wrp(const int *ih_this, int* ih_eigenvectors,
-                     const int *ih_solver_parameters);
+                                       const int *ih_solver_parameters);
 #endif
diff --git a/Source/C/ExponentialSolvers_c.h b/Source/C/ExponentialSolvers_c.h
@@ -4,7 +4,7 @@
 void ComputeExponential_wrp(const int *ih_Input, int *ih_Output,
                             const int *ih_solver_parameters);
 void ComputeExponentialPade_wrp(const int *ih_Input, int *ih_Output,
-                            const int *ih_solver_parameters);
+                                const int *ih_solver_parameters);
 void ComputeLogarithm_wrp(const int *ih_Input, int *ih_Output,
                           const int *ih_solver_parameters);
 

diff --git a/Source/Fortran/DensityMatrixSolversModule.F90 b/Source/Fortran/DensityMatrixSolversModule.F90
@@ -1275,7 +1275,7 @@ SUBROUTINE ScaleAndFold(Hamiltonian, InverseSquareRoot, nel, Density, &
     REAL(NTREAL) :: energy_value, energy_value2
     !! Temporary Variables
     TYPE(MatrixMemoryPool_p) :: pool
-    INTEGER :: outer_counter, inner_counter
+    INTEGER :: outer_counter
     INTEGER :: total_iterations
 
     !! Optional Parameters

diff --git a/Targets/Archer.cmake b/Targets/Archer.cmake
@@ -0,0 +1,20 @@
+################################################################################
+# Build file for the archer system.
+# Using the default cray compilers
+set(CMAKE_SYSTEM_NAME Linux)
+set(CMAKE_C_COMPILER cc) 
+set(CMAKE_Fortran_COMPILER ftn)
+set(CMAKE_CXX_COMPILER CC)
+
+# Library Files
+#set(TOOLCHAIN_LIBS "-lblas")
+
+# Release suggestions
+set(CXX_TOOLCHAINFLAGS_RELEASE "-O3 -dynamic")
+set(F_TOOLCHAINFLAGS_RELEASE "-O3 -dynamic")
+
+# Debug suggestions
+set(CXX_TOOLCHAINFLAGS_DEBUG "-dynamic")
+set(F_TOOLCHAINFLAGS_DEBUG "-dynamic -DPURE=")
+
+set(TARGET_SUPPORTS_SHARED_LIBS Yes)
diff --git a/Targets/Linux.cmake b/Targets/Linux.cmake
@@ -13,5 +13,5 @@ set(CXX_TOOLCHAINFLAGS_RELEASE "-O3 -openmp -lgomp")
 set(F_TOOLCHAINFLAGS_RELEASE "-O3 -cpp -openmp")
 
 # Debug suggestions
-set(CXX_TOOLCHAINFLAGS_DEBUG "-O0 -openmp")
-set(F_TOOLCHAINFLAGS_DEBUG "-O0 -cpp -fcheck=all")
+set(CXX_TOOLCHAINFLAGS_DEBUG "-O0 -openmp -Wall")
+set(F_TOOLCHAINFLAGS_DEBUG "-O0 -cpp -fcheck=all -Wall")
diff --git a/UnitTests/test_build.py b/UnitTests/test_build.py
@@ -7,6 +7,7 @@
 from os import environ, chdir
 from os.path import join
 
+
 def parse_command(fin, num_commands=1):
     '''
     Keep parsing a command which is wrapped in the github markdown style