Auto-update README.rst

scripts/.gitignore

@@ -0,0 +1,2 @@
+*.pyc
+*.pyo

scripts/create_rst_templates.sh

@@ -43,19 +43,6 @@ $UNDERLINE
 $MODULE Module
 $UNDERLINE
 
-
-
-Assumptions
------------
-
-.. include:: ./ASSUMPTIONS.rst
-
-
-Needed Modules
---------------
-
-.. include:: ./NEEDED_MODULES
-
 EOF
 fi
 

scripts/update_README.py

@@ -0,0 +1,124 @@
+#!/usr/bin/env python
+
+"""Updates the README.rst file as the include directive is disabled on GitHub."""
+__date__     = "Thu Apr  3 23:06:18 CEST 2014"
+__author__ = "Anthony Scemama <scemama@irsamc.ups-tlse.fr>"
+
+
+README="README.rst"
+Assum_key="Assumptions\n===========\n"
+Needed_key="Needed Modules\n==============\n"
+Sentinel="@@$%&@@"
+
+
+def fetch_splitted_data():
+    """Read the README.rst file and split it in 3 strings:
+    * The description
+    * The assumptions
+    * The needed modules
+    The result is given as a list of strings
+    """
+
+    file = open(README,'r')
+    data = file.read()
+    file.close()
+
+    # Place sentinels
+    data = data.replace(Assum_key,Sentinel+Assum_key)
+    data = data.replace(Needed_key,Sentinel+Needed_key)
+    
+    # Now Split data using the sentinels
+    result = data.split(Sentinel)
+
+    return result
+
+
+def update_assumptions(data):
+    """Read the ASSUMPTIONS.rst file, and replace the data with it."""
+
+    try:
+        file = open('ASSUMPTIONS.rst','r')
+    except IOError:
+        file = open('ASSUMPTIONS.rst','w')
+        assumptions = ""
+    else:
+        assumptions = file.read()
+    file.close()
+
+    header = """
+.. Do not edit this section. It was auto-generated from the
+.. ASSUMPTIONS.rst file.
+
+"""
+    if assumptions.strip() != "":
+        assumptions = Assum_key + header + assumptions + '\n\n'
+
+    has_assumptions = False
+    for i in range(len(data)):
+        if data[i].startswith(Assum_key):
+            has_assumptions = True
+            data[i] = assumptions
+
+    if not has_assumptions:
+        data.insert(1,assumptions)
+
+    return data
+
+
+def update_needed(data):
+    """Read the NEEDED_MODULES file, and replace the data with it."""
+
+    file = open('NEEDED_MODULES','r')
+    modules = file.read()
+    file.close()
+
+    header = """
+.. Do not edit this section. It was auto-generated from the
+.. NEEDED_MODULES file.
+
+"""
+    if modules.strip() != "":
+        modules = "\n".join(map(lambda x: '* %s'%(x), modules.split()))
+        modules = Needed_key + header + modules + '\n\n'
+
+    has_modules = False
+    for i in range(len(data)):
+        if data[i].startswith(Needed_key):
+            has_modules = True
+            data[i] = modules
+
+    if not has_modules:
+        data.append(modules)
+
+    return data
+
+import subprocess
+
+def git_add():
+    """Executes:
+    git add README.rst
+    if git is present on the machine."""
+    command = "git add "+README
+
+    try:
+      subprocess.call(command.split())
+    except OSError:
+      pass
+
+
+def main():
+    data = fetch_splitted_data()
+    data = update_assumptions(data)
+    data = update_needed(data)
+    output = ''.join(data)
+    
+    file = open(README,'w')
+    file.write(output)
+    file.close()
+
+    git_add()
+
+
+if __name__ == '__main__':
+    main()
+

setup_environment.sh

@@ -9,11 +9,13 @@ then
     make irpf90
     IRPF90=${QPACKAGE_ROOT}/irpf90/bin/irpf90
 fi
-make EZFIO
 
 cat << EOF > quantum_package.rc
 export IRPF90=${IRPF90}
 export QPACKAGE_ROOT=${QPACKAGE_ROOT}
-export PATH+=:${QPACKAGE_ROOT}/scripts
+export PATH+=:\${QPACKAGE_ROOT}/scripts
-export PATH+=:${QPACKAGE_ROOT}/bin
+export PATH+=:\${QPACKAGE_ROOT}/bin
 EOF
+
+source quantum_package.rc
+make EZFIO

src/AOs/README.rst

@@ -2,16 +2,13 @@
 AOs Module
 ==========
 
-
-
-Assumptions
------------
-
-.. include:: ./ASSUMPTIONS.rst
-
-
 Needed Modules
---------------
+==============
 
-.. include:: ./NEEDED_MODULES
+.. Do not edit this section. It was auto-generated from the
+.. NEEDED_MODULES file.
+
+* Ezfio_files
+* Nuclei
+* Utils
 

src/Bitmask/README.rst

@@ -3,15 +3,16 @@ Bitmask Module
 ==============
 
 
-
-Assumptions
------------
-
-.. include:: ./ASSUMPTIONS.rst
-
-
 Needed Modules
---------------
+==============
 
-.. include:: ./NEEDED_MODULES
+.. Do not edit this section. It was auto-generated from the
+.. NEEDED_MODULES file.
+
+* AOs
+* Electrons
+* Ezfio_files
+* MOs
+* Nuclei
+* Utils
 

src/Electrons/README.rst

@@ -7,13 +7,22 @@ are provided by this module.
 
 
 Assumptions
------------
+===========
 
-.. include:: ./ASSUMPTIONS.rst
+.. Do not edit this section. It was auto-generated from the
+.. ASSUMPTIONS.rst file.
+
+* ``elec_num`` >= 0
+* ``elec_alpha_num`` >= 0
+* ``elec_beta_num`` >= 0
+* ``elec_alpha_num`` >= ``elec_beta_num``
 
 
 Needed Modules
---------------
+==============
 
-.. include:: ./NEEDED_MODULES
+.. Do not edit this section. It was auto-generated from the
+.. NEEDED_MODULES file.
+
+* Ezfio_files
 

src/Ezfio_files/README.rst

@@ -2,16 +2,3 @@
 Ezfio_files Module
 ==================
 
-
-
-Assumptions
------------
-
-.. include:: ./ASSUMPTIONS.rst
-
-
-Needed Modules
---------------
-
-.. include:: ./NEEDED_MODULES
-

src/MOs/README.rst

@@ -2,16 +2,14 @@
 MOs Module
 ==========
 
-
-
-Assumptions
------------
-
-.. include:: ./ASSUMPTIONS.rst
-
-
 Needed Modules
---------------
+==============
 
-.. include:: ./NEEDED_MODULES
+.. Do not edit this section. It was auto-generated from the
+.. NEEDED_MODULES file.
+
+* AOs
+* Ezfio_files
+* Nuclei
+* Utils
 

src/Makefile.common

@@ -1,45 +1,108 @@
-include $(QPACKAGE_ROOT)/src/Makefile.config
+# Check if QPACKAGE_ROOT is defined
+
 ifndef QPACKAGE_ROOT
-$(error QPACKAGE_ROOT undefined. Run the setup_environment.sh script)
+$(info  -------------------- Error --------------------)
-endif
+$(info  QPACKAGE_ROOT undefined. Run the setup_environment.sh script)
-
+$(info  -----------------------------------------------)
-NEEDED_MODULES=$(shell cat NEEDED_MODULES)
-
-include Makefile.depend
-
-NEEDED_MODULES_OK=$(shell X=`$(QPACKAGE_ROOT)/scripts/check_dependencies.sh $(NEEDED_MODULES)` && echo OK || echo $$X)
-ifneq ($(NEEDED_MODULES_OK),OK)
-  $(info ---------------------)
-  $(info Your NEEDED_MODULES file is inconsistent. It should be:)
-  $(info $(NEEDED_MODULES_OK))
-  $(info ---------------------)
 $(error )
 endif
 
-IRP_VERSION_OK=$(shell $(IRPF90) -v | python -c "import sys ; print float(sys.stdin.readline().rsplit('.',1)[0]) >= 1.3")
-ifeq ($(IRP_VERSION_OK),False)
-$(error 'IRPF90 version >= 1.3 is required')
-endif
 
-README_RST_OK=$(shell ls README.rst || echo Failed)
+# Check if the user's config exists
-ASSUMPTIONS_RST_OK=$(shell ls ASSUMPTIONS.rst || echo Failed)
 
 MAKEFILE_OK=$(shell ls $(QPACKAGE_ROOT)/src/Makefile.config 2> /dev/null && echo True || echo False)
 ifeq ($(MAKEFILE_OK),False)
-$(error 'Makefile.config is not present. Please modify Makefile.config.example to create Makefile.config')
+$(info  -------------------- Error --------------------)
+$(info Makefile.config is not present.)
+$(info You can create Makefile.config)
+$(info by modifying Makefile.config.example)
+$(info  -----------------------------------------------)
+$(error )
 endif
 
 
+# Include the user's config
+
+include $(QPACKAGE_ROOT)/src/Makefile.config
+
+
+# Check the  version of IRPF90
+
+IRP_VERSION_OK=$(shell $(IRPF90) -v | python -c "import sys ; print float(sys.stdin.readline().rsplit('.',1)[0]) >= 1.3")
+ifeq ($(IRP_VERSION_OK),False)
+$(info  -------------------- Error --------------------)
+$(info  IRPF90 version >= 1.3 is required)
+$(info  -----------------------------------------------)
+$(error )
+endif
+
+
+# Check if the NEEDED_MODULES file is consistent
+
+NEEDED_MODULES_OK=$(shell X=`$(QPACKAGE_ROOT)/scripts/check_dependencies.sh $(NEEDED_MODULES)` && echo OK || echo $$X)
+ifneq ($(NEEDED_MODULES_OK),OK)
+$(info  -------------------- Error --------------------)
+$(info Your NEEDED_MODULES file is inconsistent. It should be)
+$(info $(NEEDED_MODULES_OK))
+$(info  -----------------------------------------------)
+$(error )
+endif
+
+
+# Create the NEEDED_MODULES variable, needed for IRPF90
+
+NEEDED_MODULES=$(shell cat NEEDED_MODULES)
+
+
+# Check and update dependencies
+
+include Makefile.depend
+
+
+# Check if README.rst exists
+
+README_RST_OK=$(shell ls README.rst 2>/dev/null || echo False)
+ifeq ($(README_RST_OK), False)
+$(shell $(QPACKAGE_ROOT)/scripts/create_rst_templates.sh)
+$(info  -------------------- Error --------------------)
+$(info  README.rst was not present, so I created a)
+$(info  default one for you.)
+$(info  You should document it before you compile, as)
+$(info  well as the ASSUMPTIONS.rst file.)
+$(info  -----------------------------------------------)
+$(error )
+endif
+
+
+# Check if ASSUMPTIONS.rst exists
+
+ASSUMPTIONS_RST_OK=$(shell ls ASSUMPTIONS.rst || echo False)
+ifeq ($(ASSUMPTIONS_RST_OK), False)
+$(info  -------------------- Error --------------------)
+$(info This is a Bug. At that point, the ASSUMPTIONS.rst)
+$(info file should exist.)
+$(info  -----------------------------------------------)
+endif
+
+
+# Update the README.rst file for GitHub, and git add it
+
+$(shell update_README.py)
+
+
+# Define the Makefile common variables and rules
+
 EZFIO_DIR=$(QPACKAGE_ROOT)/EZFIO
 EZFIO=$(EZFIO_DIR)/lib/libezfio_irp.a
+INCLUDE_DIRS=$(NEEDED_MODULES) include
 
 $(EZFIO): $(wildcard $(QPACKAGE_ROOT)/src/*.ezfio_config) $(wildcard $(QPACKAGE_ROOT)/src/*/*.ezfio_config)
 	@echo Building EZFIO library
 	@cp $(wildcard $(QPACKAGE_ROOT)/src/*.ezfio_config) $(wildcard $(QPACKAGE_ROOT)/src/*/*.ezfio_config) $(EZFIO_DIR)/config 
 	@cd $(EZFIO_DIR) ; export FC="$(FC)" ; export FCFLAGS="$(FCFLAGS)" ; export IRPF90="$(IRPF90)" ; $(MAKE) ; $(MAKE) Python
 
-INCLUDE_DIRS=$(NEEDED_MODULES) include
 
+# Create symbolic links of other modules
 
 ifneq ($(PWD),$(QPACKAGE_ROOT)/src)
 $(shell $(QPACKAGE_ROOT)/scripts/prepare_module.sh $(INCLUDE_DIRS))
@@ -60,5 +123,7 @@ Makefile.depend: Makefile
 
 include irpf90.make
 
+# Dummy rule to enable to force recompilation
+
 FORCE:
 

src/Nuclei/README.rst

@@ -2,16 +2,12 @@
 Nuclei Module
 =============
 
-
-
-Assumptions
------------
-
-.. include:: ./ASSUMPTIONS.rst
-
-
 Needed Modules
---------------
+==============
 
-.. include:: ./NEEDED_MODULES
+.. Do not edit this section. It was auto-generated from the
+.. NEEDED_MODULES file.
+
+* Ezfio_files
+* Utils
 

src/Output/README.rst

@@ -4,14 +4,5 @@ Output Module
 
  
  
-Assumptions
------------
-
-.. include:: ./ASSUMPTIONS.rst
  
  
-Needed Modules
---------------
-
-.. include:: ./NEEDED_MODULES
-

src/README.rst

@@ -103,3 +103,18 @@ should be always checked. For example, when creating a directory the existence
 of the directory has to be checked.
 
 
+Needed Modules
+==============
+
+.. Do not edit this section. It was auto-generated from the
+.. NEEDED_MODULES file.
+
+* AOs
+* Bitmask
+* Electrons
+* Ezfio_files
+* MOs
+* Nuclei
+* Output
+* Utils
+

src/Utils/README.rst

@@ -15,3 +15,8 @@ Needed Modules
 
 .. include:: ./NEEDED_MODULES
 
+ 
+ 
+ 
+ 
+