Merge pull request #9 from rs028/mistra_version

Solves #6.

CHANGELOG

@@ -0,0 +1,63 @@
+#################################################################
+#                                                               #
+# Changes to KPP-2.2.3 which need to be done to use with Mistra #
+#                                                               #
+#   Author: Josue Bock      (josue.bock@meteo.fr)               #
+#                                                               #
+#################################################################
+
+1. In main directory:
+---------------------
+1.1/ mkdir bin
+1.2/ readme copied from Rolf Sander's version
+1.3/ edit Makefile.def according to KPP instructions
+
+
+2. In src directory:
+--------------------
+2.1/ edit code_f77.c and decrease the number of written columns (integer case) from 12 to 11 (or less):
+	- maxCols = 11
+	- if (((i+1) % 11 == 0 ...
+	- comments starting with ! instead of C (optional, unactivated)
+2.2/ code_f90.c from Rolf Sander's version
+2.3/ edit gdata.h, increase MAX_EQN (=5000, or more) and MAX_SPECIES (=3000, or more). After Rolf Sander changes: also increase MAX_K (=300)
+2.4/ use scan.l from Rolf Sander's version (dimensions increased to 300, related to change #2.3 here)
+2.5/ edit scan.y and increase the dimension of the character variable "str" from 80 to 300.
+2.6/ correct gen.c, SR GenerateJacReactantProd : allocate integer arrays instead of a declaration
+
+3. In int directory:
+--------------------
+3.1/ use corrected version of int/rosenbrock.f
+	- ode_Fun is not the correct name, replaced by FunTemplate
+	- ode_Jac is not the correct name, replaced by JacTemplate
+
+
+4. In util directory:
+---------------------
+4.1/ use empty version of UserRateLaws.f
+
+
+#################################################################
+#                                                               #
+# Further changes to KPP-2.2.3 -- after Forcheck-ing the code   #
+#                                                               #
+#################################################################
+
+Further change in int/rosenbrock.f:
+   - remove all calls to SR WCOPY
+   - remove all calls to SR WSCAL
+
+
+Update 05/03/2017:
+------------------
+   - bugfix in code_f77.c: in F77_DeclareData, a bug arise if the number of species (or reactions) is a multiple of max_lines
+                           corrected by adding "if( min < max )"
+   - in the same routine: dynamic column filling, to take 3 - 5 digits into account, and avoid too long files (and too numerous continuation lines)
+   - plus cleaning of the whole file, according to compilation messages
+
+   - in gen.c, little improvement to print correct file extension when running KPP
+   -           plus cleaning of this file according to compilation messages
+
+   - in util/sutil.f: bugfix in SR KppDecomp: there was already a test to prevent JVS(...) == 0, but there were 2 mistakes:
+        - only nvar values were tested, not covering the whole JVS(:) values
+        - a strict equality ("== 0") was used, while abs < tiny is safer.

Makefile.defs

@@ -54,7 +54,7 @@ FLEX=flex
 #    On many systems this is either: 
 #    /usr/lib, /usr/lib64, /usr/local/util/lib/flex
 
-FLEX_LIB_DIR=/usr/lib64
+FLEX_LIB_DIR=/usr/lib
 
 # 4. Platform independent C compiler flags. By default "-O" is used which 
 #    turns on optimization. If you are experiencing problems you may try