Better config_gfortran

.travis.yml

@@ -13,7 +13,7 @@ script:
   - ./setup_environment.sh --robot 
   - source ./quantum_package.rc
   - cp ./src/Makefile.config.gfortran  ./src/Makefile.config
-  - ./scripts/compilation/create_ninja_build.py > build.ninja
+  - ./scripts/compilation/create_ninja_build.py ./config/gfortran_example.cfg > build.ninja
   - ./ninja/ninja -v
   - ei_handler.py ocaml_global
   - cd ocaml ; make ; cd -

config/gfortran_example.cfg

@@ -0,0 +1,59 @@
+# Common flags
+##############
+#
+# -ffree-line-length-none : Needed for IRPF90 which produces long lines
+# -lblas -llapack         : Link with libblas and liblapack libraries provided by the system
+#
+# --align=32              : Align all provided arrays on a 32-byte boundary
+#
+[COMMON]
+FC           : gfortran -ffree-line-length-none 
+LAPACK_LIB   : -lblas -llapack
+IRPF90_FLAGS : --align=32
+
+# Global options
+################
+#
+# 1 : Activate
+# 0 : Deactivate
+#
+[OPTION]
+MODE    : OPT        ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
+CACHE   : 1          ; Enable cache_compile.py
+OPENMP  : 1          ; Append OpenMP flags
+
+# Optimization flags
+####################
+#
+# -march=native           : Compile a binary optimized for the current architecture
+# -Ofast                  : Disregard strict standards compliance. Enables all -O3 optimizations.
+#                           It also enables optimizations that are not valid
+#                           for all standard-compliant programs.  It turns on
+#                           -ffast-math and the Fortran-specific
+#                           -fno-protect-parens and -fstack-arrays.
+[OPT]
+FCFLAGS : -Ofast -march=native 
+
+# Profiling flags
+#################
+#
+[PROFILE]
+FC      : -p -g
+FCFLAGS : -Ofast -march=native 
+
+# Debugging flags
+#################
+#
+# -fcheck=all  : Checks uninitialized variables,  array subscripts, etc...
+# -g           : Extra debugging information
+#
+[DEBUG]
+FCFLAGS : -fcheck=all -g
+
+# OpenMP flags
+#################
+#
+[OPENMP]
+FC           : -fopenmp
+IRPF90_FLAGS : --openmp 
+

config/ifort_example.cfg

@@ -0,0 +1,60 @@
+# Common flags
+##############
+#
+# -mkl=[parallel|sequential] : Use the MKL library
+# --align=32                 : Align all provided arrays on a 32-byte boundary
+#
+[COMMON]
+FC           : ifort 
+LAPACK_LIB   : -mkl=parallel 
+IRPF90_FLAGS : --align=32
+
+# Global options
+################
+#
+# 1 : Activate
+# 0 : Deactivate
+# 
+[OPTION]
+MODE    : OPT        ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
+CACHE   : 1          ; Enable cache_compile.py
+OPENMP  : 1          ; Append OpenMP flags
+
+# Optimization flags
+####################
+#
+# -xHost                     : Compile a binary optimized for the current architecture
+# -O2                        : O3 not better than O2.
+# -ip                        : Inter-procedural optimizations
+# -ftz                       : Flushes denormal results to zero
+#
+[OPT]
+FCFLAGS  : -xHost -O2 -ip -qopt-prefetch -ftz
+
+# Profiling flags
+#################
+#
+[PROFILE]
+FC       : -p -g
+FCFLAGS  : -xHost -O2 -ip -qopt-prefetch -ftz
+
+# Debugging flags
+#################
+#
+# -traceback   : Activate backtrace on runtime
+# -fpe0        : All floating point exaceptions
+# -C           : Checks uninitialized variables,  array subscripts, etc...
+# -g           : Extra debugging information
+# -xSSE2       : Valgrind needs a very simple x86 executable
+#
+[DEBUG]
+FC      : -g -traceback
+FCFLAGS : -xSSE2 -C  -fpe0 
+
+# OpenMP flags
+#################
+#
+[OPENMP]
+FC           : -fopenmp
+IRPF90_FLAGS : --openmp
+

scripts/compilation/cache_compile.py

@@ -51,9 +51,11 @@ def get_hash_key(command, input_data):
 def run_and_save_the_data(command, path_output, path_key, is_mod):
 
     # Compile the file -> .o
-    os.system(command)
+    pid = os.fork()
-    # Read the .o
+    if pid == 0:
+	    os.execvpe(command.split()[0],command.split(),os.environ)
 
+    os.waitpid(pid)
     # Copy the .o in database if is not a module
     if not is_mod:
         try:
@@ -102,4 +104,4 @@ if __name__ == '__main__':
     try:
         cache_utility(command)
     except:
-        os.system(command)
+        os.execvpe(command.split()[0],command.split(),os.environ)

scripts/compilation/compilation.cfg

@@ -1,20 +0,0 @@
-[OPTION]
-OPENMP: 1
-PROFILE: 0
-DEBUG: 0
-
-[COMMON]
-FC: gfortran -ffree-line-length-none -march=native
-FCFLAGS: -ffast-math  -Ofast
-MKL: -lblas -llapack
-
-[OPENMP]
-FC: -fopenmp
-IRPF90_FLAGS: --openmp
-
-[PROFILE]
-FC: -p -g
-CXX: -pg
-
-[DEBUG]
-FCFLAGS: -fcheck=all

scripts/compilation/create_ninja_build.py

@@ -313,7 +313,12 @@ def ninja_irpf90_make_build(l_all_needed_molule,
                             path_module,
                             d_irp):
 
-    path_irpf90_make = join(path_module.abs, "irpf90.make")
+    l_creation = [join(path_module.abs,i) for i in ["irpf90.make", 
+                                                    "irpf90_entities", 
+                                                    "tags",
+                                                    "IRPF90_temp",
+                                                    "IRPF90_man"]]
+    str_creation = " ".join(l_creation)
 
     l_irp_need = []
     for module in [path_module] + l_all_needed_molule:
@@ -330,7 +335,8 @@ def ninja_irpf90_make_build(l_all_needed_molule,
         str_depend = "{0}".format(str_l_irp_need)
 
     # Build
-    l_string = ["build {0}: build_irpf90.make {1}".format(path_irpf90_make,
+    
+    l_string = ["build {0}: build_irpf90.make {1}".format(str_creation,
                                                           str_depend)]
 
     l_string += ["   module = {0}".format(path_module.abs)]
@@ -499,7 +505,7 @@ def ninja_binary_rule(pwd_config_file):
         str_ = "export {0}='{1}'".format(flag, get_compilation_option(pwd_config_file, flag))
         l_flag.append(str_)
 
-    mkl = get_compilation_option(pwd_config_file, "MKL")
+    mkl = get_compilation_option(pwd_config_file, "LAPACK_LIB")
     ezfio = join(qpackage_root_ezfio, "lib", "libezfio_irp.a")
 
     str_ = "export LIB='{0} {1}'".format(mkl, ezfio)

scripts/compilation/read_compilation_cfg.py

@@ -6,17 +6,26 @@ import ConfigParser
 
 
 def get_l_option_section(config):
-    return [o for o in ['OPENMP', 'PROFILE', 'DEBUG'] if config.getboolean("OPTION", o)]
+    """List of options chosen by the user"""
+    l = [o for o in ['OPENMP'] if config.getboolean("OPTION", o)]
+    l.append(config.get("OPTION", "MODE").strip())
+    return l
 
 
 def get_compilation_option(pwd_cfg, flag_name):
-
+    """
+    Return the flag compilation of a compile.cfg located in pwd_cfg
+    """
     config = ConfigParser.ConfigParser()
     config.read(pwd_cfg)
 
+    if flag_name == "FC" and config.getboolean("OPTION","CACHE"):
+        l = ["cache_compile.py"]
+    else:
+        l = []
+
     l_option_section = get_l_option_section(config)
 
-    l = []
     for section in ["COMMON"] + l_option_section:
         try:
             l.extend(config.get(section, flag_name).split())
@@ -28,6 +37,7 @@ def get_compilation_option(pwd_cfg, flag_name):
 if __name__ == '__main__':
 
     qpackage_root = os.environ['QPACKAGE_ROOT']
-    pwd_cfg = os.path.join(qpackage_root, "scripts/compilation/compilation_ifort.cfg")
+    pwd_cfg = os.path.join(qpackage_root, "config/gfortran_example.cfg")
 
     print get_compilation_option(pwd_cfg, "FC")
+    print get_compilation_option(pwd_cfg, "FCFLAGS")