installation zlib OK

COMPILE_RUN.md

@@ -12,11 +12,11 @@ The script to create the dependencies file (aka `build.ninja`) is `create_ninja_
 
 ## Compilation Flag
 
-You need to specify all the flag useful for the compilation:   like the optimization one, the mkl one .``$QPACKAGE_ROOT/config`` contains ``ifort.cfg`` and ``gfortran.cfg`` files which have the compiler flags that will be used to compile the code. You can edit these files to modify the compiling option. Put the file path when calling `create_ninja_build.py`
+You need to specify all the flag useful for the compilation:   like the optimization one, the mkl one .``$QP_ROOT/config`` contains ``ifort.cfg`` and ``gfortran.cfg`` files which have the compiler flags that will be used to compile the code. You can edit these files to modify the compiling option. Put the file path when calling `create_ninja_build.py`
 
 ## Example to create the Ninja file
 
-`create_ninja_build.py --production $QPACKAGE_ROOT/config/ifort.cfg`
+`create_ninja_build.py --production $QP_ROOT/config/ifort.cfg`
 
 # WARNING
 
@@ -24,8 +24,8 @@ For now reload this command if you add a `IRP.f90` or `EZFIO.cfg` file or modify
 
 ## Compile
 
-Just type `ninja` if you are in `$QPACKAGE_ROOT` (or `ninja -f $QPACKAGE_ROOT/build.ninja` elsewhere). The compilation will take approximately 3 min.
+Just type `ninja` if you are in `$QP_ROOT` (or `ninja -f $QP_ROOT/build.ninja` elsewhere). The compilation will take approximately 3 min.
 
 If you have set the `--developement` flag in a specific module you can go in the corresponding IRPF90_temp and run `ninja` to only make the module and submodule binaries. (You can use the `-f` option too)
 
-Now go in `$QPACKAGE_ROOT/ocaml` and type `make`
+Now go in `$QP_ROOT/ocaml` and type `make`

data/Makefile

@@ -1,7 +0,0 @@
-all: executables
-
-.PHONY: executables
-
-executables: 
-	cd  $(QPACKAGE_ROOT)/src ; $(MAKE) executables 
-	mv $(QPACKAGE_ROOT)/src/executables .

doc/code_architecture/Script.md

@@ -1,17 +1,17 @@
 # `ei_handler.py`
 
-This script in located in `$QPACKAGE_ROOT/scripts/ezfio_interface/`.
+This script in located in `$QP_ROOT/scripts/ezfio_interface/`.
 It provide all the resource need to deal with the `EZFIO.cfg` files :
-    - The creation of `$MODULE_LOWER_ezfio_config` in `$QPACKAGE_ROOT/ezfio/config`
+    - The creation of `$MODULE_LOWER_ezfio_config` in `$QP_ROOT/ezfio/config`
     - The `ezfio_interface.irp.f` who containt all the provider associate (in `$MODULE/`)
-    - The `$MODULE_LOWER_ezfio_defaults` in `$QPACKAGE_ROOT/data/`
+    - The `$MODULE_LOWER_ezfio_defaults` in `$QP_ROOT/data/`
     - The `Input_$MODULE_LOWER.ml` for the *qp_edit*
 
 For more information you can type `ei_handler.py -h`
 
 # `module_handler.py`
 
-This script in located in `$QPACKAGE_ROOT/scripts/module/`.
+This script in located in `$QP_ROOT/scripts/module/`.
 It provide all the resource related to the tree dependancy of the modules.
 If more useful as a librairy than a cli.
 
@@ -31,13 +31,13 @@ In the cli mode:
 
 
 # `qp_install_module.py`
-This script is located in `$QPACKAGE_ROOT/scripts/module/`.
+This script is located in `$QP_ROOT/scripts/module/`.
 
 It is usefull when you need to install a new module. (From the soon to come repo or from scratch).
 
 # `qp_create_ninja.py`
 
-This script is located in `$QPACKAGE_ROOT/scripts/compilation/`.
+This script is located in `$QP_ROOT/scripts/compilation/`.
 It will create the `build.ninja` file. It will use intersifly the `module_handler.py` module.
 
 To read all the flag for the compilation the module `read_compilation_cfg.py` is used. 

install/scripts/install_ocaml.sh

@@ -4,19 +4,6 @@ cd ..
 QP_ROOT=$PWD
 cd -
 
-# Fast installation
-if [[ "$1" == "--fast" && ! -d ${HOME}/.opam ]]
-then
-  MEGA_DL="${QP_ROOT}/bin/mega-dl.sh"
-  wget 'https://gist.githubusercontent.com/scemama/b9debaed0b76321229a5/raw/d06ca00e6ad7f3703ff4738b210f6f913c1bd8d5/mega-dl.sh' -O ${MEGA_DL}
-  chmod +x ${MEGA_DL}
-  url='https://mega.co.nz/#!ykh32ajD!2aeqh87c53tL-Z4W1msQvem-TrmRN3ftlZ_QdhKo3c4'
-  ${MEGA_DL} $url /tmp/opam.tgz
-  cd $HOME
-  tar -zxf /tmp/opam.tgz
-  cd -
-fi
-
 # Normal installation
 PACKAGES="core cryptokit ocamlfind sexplib"
 

install/scripts/install_zlib.sh

@@ -12,7 +12,8 @@ function _install()
   cd ${BUILD}
   ./configure && make || exit 1
   make install prefix=$QP_ROOT/install/${TARGET} || exit 1
-  ln -f $QP_ROOT/install/${TARGET}/lib/libz.so $QP_ROOT/lib || exit 1
+  ln -s -f $QP_ROOT/install/${TARGET}/lib/libz.so $QP_ROOT/lib || exit 1
+  ln -s -f $QP_ROOT/install/${TARGET}/lib/libz.a $QP_ROOT/lib || exit 1
 }
 
-source scripts/build.sh
+source scripts/build.sh

scripts/compilation/qp_create_ninja.py

@@ -223,7 +223,7 @@ def ninja_ezfio_rule():
               for flag in ["FC", "FCFLAGS", "IRPF90"]]
 
     l_cmd = ["cd {0}".format(QP_ROOT_EZFIO)
-             ] + l_flag + ["make && ln -f {0} {1}".format(join(QP_ROOT, 'install', 'EZFIO',"lib","libezfio.a"),
+             ] + l_flag + ["ninja && ln -f {0} {1}".format(join(QP_ROOT, 'install', 'EZFIO',"lib","libezfio.a"),
                                                           EZFIO_LIB)]
 
     l_string = ["rule build_ezfio",
@@ -399,7 +399,7 @@ def ninja_irpf90_make_build(path_module, l_needed_molule, d_irp):
 
     l_creation = [join(path_module.abs, i)
                   for i in ["irpf90.make", "irpf90_entities", "tags",
-                            "IRPF90_temp/build.ninja"]]
+                            "build.ninja"]]
     str_creation = " ".join(l_creation)
 
     # ~#~#~#~#~#~#~#~#~#~ #
@@ -532,7 +532,7 @@ def ninja_binaries_rule():
     # c m d #
     # ~#~#~ #
 
-    l_cmd = ["cd $module/IRPF90_temp", "ninja"]
+    l_cmd = ["cd $module", "ninja"]
 
     # ~#~#~#~#~#~ #
     # s t r i n g #
@@ -554,7 +554,7 @@ def ninja_binaries_build(path_module, l_children, d_binaries):
     # c m d #
     # ~#~#~ #
 
-    ninja_module_path = join(path_module.abs, "IRPF90_temp", "build.ninja")
+    ninja_module_path = join(path_module.abs, "build.ninja")
     l_abs_bin = [binary.abs for binary in d_binaries[path_module]]
 
     # ~#~#~#~#~#~ #

scripts/ezfio_interface/qp_convert_output_to_ezfio.py

@@ -1,6 +1,6 @@
 #!/usr/bin/env python
 """
-This function acceep
+convert output of gamess/GAU$$IAN to ezfio
 
 Usage:
     qp_convert_output_to_ezfio.py <file.out> [--ezfio=<folder.ezfio>]
@@ -29,7 +29,7 @@ except:
     print "Error: QP_ROOT environment variable not found."
     sys.exit(1)
 else:
-    sys.path = [QP_ROOT + "/EZFIO/Python",
+    sys.path = [QP_ROOT + "/install/EZFIO/Python",
                 QP_ROOT + "/resultsFile",
                 QP_ROOT + "/scripts"] + sys.path
 

setup_environment.py

@@ -65,7 +65,7 @@ path = Info(
     default_path=join(QP_ROOT_BIN, "patch"))
 
 irpf90 = Info(
-    url='{head}/scemama/irpf90/archive/v1.6.5.tar.gz'.format(**path_github),
+    url='{head}/scemama/irpf90/archive/v1.6.6.tar.gz'.format(**path_github),
     description=' irpf90',
     default_path=join(QP_ROOT_BIN, "irpf90"))
 
@@ -143,16 +143,11 @@ def check_python():
 
 def check_avabiliy(binary):
 
-    if binary == "zlib":
-        binary_name = "zlib-flate"
-    else:
-        binary_name = binary
-
     if binary == "python":
         check_python()
 
     try:
-        return check_output(["which", binary_name])
+        return check_output(["which", binary])
     except subprocess.CalledProcessError:
         default_path = d_info[binary].default_path
         if os.path.exists(default_path):
@@ -209,7 +204,12 @@ print """
 """
 
 print "You have already installed :"
-pprint.pprint(l_installed)
+def f( (a1,a2), (key,value) ): 
+    return tuple(max(x,len(y)) for (x,y) in [(a1,key), (a2,value)] )
+fmt_tuple =reduce(f, l_installed.iteritems(), (0,0))
+for k,v in l_installed.iteritems():
+    fmt = "{0:<%d} : {1:<%d}"%fmt_tuple
+    print fmt.format( k, v )
 
 print """
  ___