Merge pull request #14 from jl-wynen/devel

Version 0.2

Author: evanberkowitz

.gitignore

@@ -2,19 +2,22 @@
 *.h5
 *.hdf5
 
+# log files
+*.log
+
 # Python binaries
 __pycache__
 *.pyc
 *.egg-info
 dist
 
+# Python virtual environments
+Pipfile
+
 # C++ binaries
 *.so
 *.dSYM
 .DS_Store
 
 # build directory
 build
-
-# Pyhton virtual environments
-Pipfile

CMakeLists.txt

@@ -30,9 +30,9 @@ endif ()
 project(isle CXX)
 
 # look for 3rd party packages
+find_package(OpenMP REQUIRED)
 find_package(Pybind11 REQUIRED)
-find_package(blaze REQUIRED)
-find_package(OMP REQUIRED)
+find_package(blaze 3.4 REQUIRED)
 
 get_filename_component(SOURCE_DIR "src/isle/cpp"
   REALPATH BASE_DIR "${CMAKE_SOURCE_DIR}")

README.md

@@ -13,13 +13,14 @@ It's thought that the Hubbard model approximates carbon nanostructures, such as
 
 ## C++
 - C++14 compiler (tested with recent versions of gcc and clang)
-- [Python 3](https://www.python.org/) version 3.7 or later
 - [blaze](https://bitbucket.org/blaze-lib/blaze)
 - BLAS/LAPACK
 
 ## Python
+- [Python 3](https://www.python.org/) version 3.7 or later
 - [Pybind11](https://github.com/pybind/pybind11) >= 2.2.4
 - [numpy](http://www.numpy.org/)
+- [SciPy](https://www.scipy.org/scipylib/index.html) library
 - [h5py](http://www.h5py.org/)
 - [scikit-learn](http://scikit-learn.org/stable/) (optional)
 - [matplotlib](https://matplotlib.org/) (optional)

benchmarks/logdet.py

@@ -68,9 +68,14 @@ def nx_scaling():
 
     times = {"logdetM": []}
 
+    nxs = []
     for lat in lattices:
         print(f"lat = {lat.name}")
         nx = lat.nx()
+        if nx in nxs:
+            continue
+
+        nxs.append(nx)
         lat.nt(NT)
 
         # make random auxilliary field and HFM
@@ -86,7 +91,7 @@ def nx_scaling():
     # save benchmark to file
     pickle.dump({"xlabel": "Nx",
                  "ylabel": "time / s",
-                 "xvalues": [lat.nx() for lat in lattices],
+                 "xvalues": nxs,
                  "results": times},
                 open("logdet.ben", "wb"))
 

benchmarks/solver.py

@@ -1,10 +1,13 @@
 # Find blaze and BLAS/LAPACK of specified vendor
 #
-#  blaze_FOUND         - True if blaze was found
-#  blaze_INCLUDE_DIRS  - Include directories for blaze
-#  blaze_CXX_FLAGS     - Flags for CXX compiler
-#  blaze_LIBRARIES     - Libraries to link against
-#  blaze_LINKER_FLAGS  - Flags for linker
+#  blaze_FOUND          - True if blaze was found
+#  blaze_VERSION_STRING - The version of blaze
+#  blaze_VERSION_MAJOR  - The major version of blaze
+#  blaze_VERSION_MINOR  - The minor version of blaze
+#  blaze_INCLUDE_DIRS   - Include directories for blaze
+#  blaze_CXX_FLAGS      - Flags for CXX compiler
+#  blaze_LIBRARIES      - Libraries to link against
+#  blaze_LINKER_FLAGS   - Flags for linker
 #
 
 
@@ -16,6 +19,21 @@ set(BLAZE_PARALLELISM "NONE" CACHE STRING "Kind of parallelism used by blaze. Ca
 find_path(BLAZE_INCLUDE_DIR blaze/Blaze.h PATHS ${BLAZE} NO_DEFAULT_PATH)
 find_path(BLAZE_INCLUDE_DIR blaze/Blaze.h)
 
+if (BLAZE_INCLUDE_DIR)
+  # detect version
+  file(READ ${BLAZE_INCLUDE_DIR}/blaze/system/Version.h BLAZE_VERSION_FILE)
+
+  string(REGEX MATCH "#define BLAZE_MAJOR_VERSION ([0-9]*)" dummy ${BLAZE_VERSION_FILE})
+  unset(dummy)
+  set(blaze_VERSION_MAJOR ${CMAKE_MATCH_1})
+
+  string(REGEX MATCH "#define BLAZE_MINOR_VERSION ([0-9]*)" dummy ${BLAZE_VERSION_FILE})
+  unset(dummy)
+  set(blaze_VERSION_MINOR ${CMAKE_MATCH_1})
+
+  set(blaze_VERSION_STRING "${blaze_VERSION_MAJOR}.${blaze_VERSION_MINOR}")
+endif ()
+
 
 ### search for BLAS and LAPACK ###
 set(BLAS_VENDOR "Generic" CACHE STRING "Implementation of BLAS library to use")
@@ -58,12 +76,12 @@ endif ()
 if ("${BLAZE_PARALLELISM}" STREQUAL "NONE")
   set(blaze_CXX_FLAGS "${blaze_CXX_FLAGS};-DBLAZE_USE_SHARED_MEMORY_PARALLELIZATION=0")
 elseif ("${BLAZE_PARALLELISM}" STREQUAL "OMP")
-  if (NOT DEFINED ${OMP_FOUND})
-    find_package(OMP REQUIRED)  # search for OMP if not already done
+  if (NOT DEFINED OpenMP_FOUND)
+    find_package(OpenMP REQUIRED)  # search for OMP if not already done
   endif ()
-  set(blaze_CXX_FLAGS "${blaze_CXX_FLAGS};${OMP_CXX_FLAGS}")
-  set(blaze_LIBRARIES "${blaze_LIBRARIES};${OMP_LIBRARIES}")
-  set(blaze_LINKER_FLAGS "${blaze_LINKER_FLAGS} ${OMP_LINKER_FLAGS}")
+  set(blaze_CXX_FLAGS "${blaze_CXX_FLAGS};${OpenMP_CXX_FLAGS}")
+  set(blaze_LIBRARIES "${blaze_LIBRARIES};${OpenMP_CXX_LIBRARIES}")
+  set(blaze_LINKER_FLAGS "${blaze_LINKER_FLAGS} ${OpenMP_LINKER_FLAGS}")
 elseif ("${BLAZE_PARALLELISM}" STREQUAL "CPP")
   set(blaze_CXX_FLAGS "${blaze_CXX_FLAGS};-DBLAZE_USE_CPP_THREADS")
 else()
@@ -72,7 +90,9 @@ endif ()
 
 
 include(FindPackageHandleStandardArgs)
-find_package_handle_standard_args(blaze DEFAULT_MSG BLAZE_INCLUDE_DIR BLAZE_CXX_FLAGS)
+find_package_handle_standard_args(blaze
+  REQUIRED_VARS BLAZE_INCLUDE_DIR
+  VERSION_VAR blaze_VERSION_STRING)
 mark_as_advanced(BLAZE_INCLUDE_DIR)
 
 set(blaze_INCLUDE_DIRS ${BLAZE_INCLUDE_DIR})

cmake/Modules/FindOMP.cmake

@@ -869,7 +869,7 @@ EXCLUDE_SYMBOLS        =
 # that contain example code fragments that are included (see the \include
 # command).
 
-EXAMPLE_PATH           =
+EXAMPLE_PATH           = ./examples
 
 # If the value of the EXAMPLE_PATH tag contains directories, you can use the
 # EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp and