chemmacros (14jun17)

git-svn-id: svn://tug.org/texlive/trunk@44596 c570f23f-e606-0410-a88d-b1316a301751

16 files changed, 219 insertions, 135 deletions

diff --git a/Master/texmf-dist/doc/latex/chemmacros/README b/Master/texmf-dist/doc/latex/chemmacros/README
index 186788ccf04..05e46321e79 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/README
+++ b/Master/texmf-dist/doc/latex/chemmacros/README
@@ -1,5 +1,5 @@
 --------------------------------------------------------------------------
-the CHEMMACROS package v5.8 2017/04/24
+the CHEMMACROS package v5.8a 2017/06/13
 
   comprehensive support for typesetting chemistry documents
 
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros.history b/Master/texmf-dist/doc/latex/chemmacros/chemmacros.history
index ade71f33e6f..314dbafafca 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros.history
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros.history
@@ -364,3 +364,12 @@ Version history
                             (nomenclature)
                           - new options `cip-inner-format', `cip-outer-format'
                             and `cip-number-format' (nomenclature)
+2017/06/13 - version 5.8a - changes to compatibility test: it now works also
+                            for subreleases
+                          - change behaviour of \ChemCompatibilityTo and
+                            \ChemCompatibilityBetween in order to cope with
+                            the changed compatibility test; adapt all files
+                            reflecting those changes
+                          - change behaviour of
+                            \__chemmacros_break_point_insert:nnn so it does
+                            nothing as last token in \iupac (nomenclature)
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
index 9a8d6932576..54b518ba25d 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
index b806c2190a3..d6fc4f13bec 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
@@ -1,5 +1,5 @@
-% arara: pdflatex
-% arara: biber
+% !arara: pdflatex
+% !arara: biber
 % arara: pdflatex
 % arara: pdflatex
 % --------------------------------------------------------------------------
@@ -310,7 +310,7 @@
 \usetikzlibrary{calc,positioning,decorations.pathmorphing,patterns}
 
 % \newpackagename\chemmacros{chemmacros}
-\newcommand*\chemmacrosversion{\csname c_chemmacros_version_number_tl\endcsname}
+\newcommand*\chemmacrosversion{\csname c_chemmacros_version_tl\endcsname}
 \newpackagename\chemformula{chemformula}
 \newpackagename\ghsystem{ghsystem}
 \newpackagename\chemgreek{chemgreek}
@@ -627,14 +627,12 @@ important and \emph{breaking} differences:
 It is actually not true that \chemmacros' has no package options any more.  It
 has one very important package option:
 \begin{options}
-  \keychoice{compatibility}{\meta{num},newest,latest}\Default{\chemmacrosversion}
-    Let's you specify the version number of \chemmacros\ you want to use.  Any
+  \keychoice{compatibility}{\meta{version},newest,latest}\Default{\chemmacrosversion}
+    Let's you specify the version of \chemmacros\ you want to use.  Any
     version earlier than 5.0 will load v4.7. \ie, the last version before
     \chemmacros\ got its modular structure\footnote{Mostly: the loaded v4.7
       has got a few fixes}.  Not using the option will always load the newest
-    version.  Please note that you only can specify the \emph{number} of the
-    version.  For a version \enquote{5.2c} you can only set compatibility mode
-    \enquote{5.2} but not specify the subrelease.
+    version.
 
     Both values \code{newest} and \code{latest} will choose the latest version
     available.
@@ -643,25 +641,29 @@ has one very important package option:
 In your document you can check for the compatibility mode.  For the following
 functions it is important to understand the rules: \emph{greater} means
 \emph{newer}.  The version number is \emph{not} a usual decimal number!  The
-syntax for \meta{num} is \meta{major}\code{.}\meta{minor}.  This means that a
-version 5.11 is \emph{newer} than a version 5.7!  In the same way \emph{less}
-means \emph{older}.  As last example: 5.10 is \emph{newer} (greater) than 5.1.
+syntax for \meta{version} is \meta{major}\code{.}\meta{minor}\meta{optional
+  subrelease}.  This means that a version~5.11 is \emph{newer} than a
+version~5.7!  In the same way \emph{less} means \emph{older}.  As last
+example: 5.10~is \emph{newer} (greater) than~5.1.  \meta{optional subrelease}
+is a lowercase letter which might or might not be present in a version number.
+Version~5.7b is newer than~5.7a which in turn is newer than~5.7.
 \begin{commands}
-  \command{IfChemCompatibilityTF}[\marg{comp}\marg{num}\marg{true}\marg{false}]
-    Checks the value given through the option \option{compatibility} against
-    \meta{num} using \meta{comp} and either leaves \meta{true} or \meta{false}
-    in the input stream. \meta{comp} can be one of \code{<}, \code{<=},
-    \code{=}, \code{>=} or \code{>}.
-  \command{IfChemCompatibilityT}[\marg{comp}\marg{num}\marg{true}]
+  \expandable\command{IfChemCompatibilityTF}[\marg{comp}\marg{version}%
+  \marg{true}\marg{false}]
     Checks the value given through the option \option{compatibility} against
-    \meta{num} using \meta{comp} and leaves \meta{true} in the input stream if
-    the check is logically true.  \meta{comp} can be one of \code{<},
+    \meta{version} using \meta{comp} and either leaves \meta{true} or
+    \meta{false} in the input stream. \meta{comp} can be one of \code{<},
     \code{<=}, \code{=}, \code{>=} or \code{>}.
-  \command{IfChemCompatibilityF}[\marg{comp}\marg{num}\marg{false}]
+  \expandable\command{IfChemCompatibilityT}[\marg{comp}\marg{version}\marg{true}]
     Checks the value given through the option \option{compatibility} against
-    \meta{num} using \meta{comp} and leaves \meta{false} in the input stream if
-    the check is logically false.  \meta{comp} can be one of \code{<},
-    \code{<=}, \code{=}, \code{>=} or \code{>}.
+    \meta{version} using \meta{comp} and leaves \meta{true} in the input
+    stream if the check is logically true.  \meta{comp} can be one of
+    \code{<}, \code{<=}, \code{=}, \code{>=} or \code{>}.
+  \expandable\command{IfChemCompatibilityF}[\marg{comp}\marg{version}\marg{false}]
+    Checks the value given through the option \option{compatibility} against
+    \meta{version} using \meta{comp} and leaves \meta{false} in the input
+    stream if the check is logically false.  \meta{comp} can be one of
+    \code{<}, \code{<=}, \code{=}, \code{>=} or \code{>}.
 \end{commands}
 
 A possible usage:
@@ -681,31 +683,33 @@ we never know what the future actually will bring \chemmacros\ now has the
 tools for tying code to a version number:
 \begin{commands}
   \expandable\explcommand{chemmacros_if_compatibility:nn}[\TF\ \marg{comp}
-  \marg{num} \marg{true} \marg{false}]
+  \marg{version} \marg{true} \marg{false}]
     expl3 version of \cs{IfChemCompatibilityTF}.
 \end{commands}
 
 In modules one can try adding code for a certain version or range of versions:
 \begin{commands}
-  \command{ChemCompatibility}[\marg{num} \meta{code} \cs{EndChemCompatibility}]
+  \command{ChemCompatibility}[\marg{version} \meta{code} \cs{EndChemCompatibility}]
     Leaves \meta{code} in the input stream if the compatibility version $x$
-    given by \option{compatibility} matches \meta{num}
-    ($x=\text{\meta{num}}$).
-  \command{ChemCompatibilityFrom}[\marg{num} \meta{code} \cs{EndChemCompatibility}]
+    given by \option{compatibility} matches \meta{version}
+    ($x=\text{\meta{version}}$).
+  \command{ChemCompatibilityFrom}[\marg{version} \meta{code} \cs{EndChemCompatibility}]
     Leaves \meta{code} in the input stream if the compatibility version $x$
-    given by \option{compatibility} matches \meta{num} or newer.  This means
-    \meta{num} is the \emph{oldest} version allowed
-    ($x\geq\text{\meta{num}}$).
-  \command{ChemCompatibilityTo}[\marg{num} \meta{code} \cs{EndChemCompatibility}]
-    Leaves \meta{code} in the input stream if the compatibility version $x$ given
-    by \option{compatibility} matches \meta{num} or older.  This means
-    \meta{num} is the \emph{newest} version allowed
-    ($x\leq\text{\meta{num}}$).
-  \command{ChemCompatibilityBetween}[\marg{num1}\marg{num2} \meta{code}
+    given by \option{compatibility} matches \meta{version} or newer.  This
+    means \meta{version} is the \emph{oldest} version allowed
+    ($x\geq\text{\meta{version}}$).
+  \command{ChemCompatibilityTo}[\marg{version} \meta{code} \cs{EndChemCompatibility}]
+    \changedversion{5.8a}Leaves \meta{code} in the input stream if the
+    compatibility version $x$ given by \option{compatibility} matches any
+    version up to and \emph{excluding} \meta{version}. This means
+    \meta{version} is the \emph{oldest} version \emph{not} allowed
+    ($x<\text{\meta{version}}$).
+  \command{ChemCompatibilityBetween}[\marg{version 1}\marg{version 2} \meta{code}
   \cs{EndChemCompatibility}]
-    Leaves \meta{code} in the input stream if the compatibility version $x$
-    given by \option{compatibility} lies between \meta{num1} and \meta{num2}
-    ($\text{\meta{num1}}\leq x\leq\text{\meta{num2}}$).
+    \changedversion{5.8a}Leaves \meta{code} in the input stream if the
+    compatibility version $x$ given by \option{compatibility} lies between and
+    \emph{including} \meta{version 1} up to and \emph{excluding} \meta{version 2}
+    ($\text{\meta{version 1}}\leq x<\text{\meta{version 2}}$).
   \command{EndChemCompatibility}
     This macro \emph{must} end each of the \cs*{ChemCompatibility\ldots}
     macros.
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.acid-base.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.acid-base.code.tex
index 4ba72d344ae..fb998832c9a 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.acid-base.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.acid-base.code.tex
@@ -66,7 +66,7 @@
     \tl_set:cn
       {l__chemmacros_#2_tl}
       { \chemmacros_translate:n {#2} }
-    \chemmacros_if_compatibility:nnTF {>} {5.6}
+    \chemmacros_if_compatibility:nnTF {>=} {5.7}
       { \chemmacros_declare_translation:nnn {#2} {fallback} {#3} }
       { \DeclareTranslationFallback {#2} {#3} }
     \cs_set_protected:Npn #1
@@ -139,7 +139,7 @@
   }
 
 % --------------------------------------------------------------------------
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \DeclareTranslation {English} {K-acid}  {\mathrm{a}}
 \DeclareTranslation {German}  {K-acid}  {\mathrm{s}}
 \DeclareTranslation {Dutch}   {K-acid}  {\mathrm{z}}
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.chemformula.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.chemformula.code.tex
index a1d3ac24048..9f54d9317f7 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.chemformula.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.chemformula.code.tex
@@ -196,7 +196,7 @@
 \EndChemCompatibility
 
 % --------------------------------------------------------------------------
-\ChemCompatibilityTo{5.0}
+\ChemCompatibilityTo{5.1}
 \chemmacros_set_formula_method:n {chemformula}
 \EndChemCompatibility
 
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.lang.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.lang.code.tex
index a087398981e..b9dea089d24 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.lang.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.lang.code.tex
@@ -48,7 +48,7 @@
 \tl_new:N  \l__chemmacros_current_language_tl
 
 \tl_const:Nx \c__chemmacros_keyword_prefix_tl
-  { \chemmacros_if_compatibility:nnT {>} {5.6} {chem-keyword-} }
+  { \chemmacros_if_compatibility:nnT {>=} {5.7} {chem-keyword-} }
 
 \prop_new:N \g_chemmacros_translations_prop
 
@@ -80,7 +80,7 @@
     language .initial:n = auto
   }
 
-\ChemCompatibilityTo{5.2}
+\ChemCompatibilityTo{5.3}
 \chemmacros_define_global_keys:n
   {
     german   .meta:n = { language = german } ,
@@ -102,7 +102,6 @@
 }
 
 % --------------------------------------------------------------------------
-% \ChemCompatibilityFrom{5.6}
 \cs_new_protected:Npn \__chemmacros_declare_translation:nw #1#2=#3\q_stop
   {
     \tl_set:Nx \l__chemmacros_tmpa_tl { \tl_trim_spaces:n {#2} }
@@ -144,7 +143,6 @@
 \NewDocumentCommand \DeclareChemTranslation {mmm}
   { \chemmacros_declare_translation:nnn {#1} {#2} {#3} }
 \@onlypreamble \DeclareChemTranslation
-% \EndChemCompatibility
 
 \cs_new:Npn \__chemmacros_parse_translate_list_entry:nnn #1#2#3 {}
 
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.nomenclature.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.nomenclature.code.tex
index 037f863190b..5a347b66e9d 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.nomenclature.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.nomenclature.code.tex
@@ -25,7 +25,7 @@
 %
 % The Current Maintainer of this work is Clemens Niederberger.
 % --------------------------------------------------------------------------
-\ChemModule{nomenclature}{2017/07/10 chemical names}
+\ChemModule{nomenclature}{2017/06/11 chemical names}
 
 \RequirePackage{scrlfile}
 
@@ -141,7 +141,7 @@
     \chemmacros_make_iupac:
   }
 
-\ChemCompatibilityTo{5.1}
+\ChemCompatibilityTo{5.2}
 \cs_new_protected:Npn \chemmacros_make_iupac:
   {
     \bool_if:NT \l__chemmacros_in_document_bool
@@ -242,7 +242,7 @@
 \chemmacros_define_keys:nn {nomenclature}
   { cip-kern .dim_set:N = \l__chemmacros_cip_kern_dim }
 
-\ChemCompatibilityTo{5.1}
+\ChemCompatibilityTo{5.2}
 \cs_new_protected:Npn \chemmacros_cip:n #1
   { \textit{#1} \tex_kern:D \l__chemmacros_cip_kern_dim }
 
@@ -250,7 +250,7 @@
   { \chemmacros_cip:n {#1} }
 \EndChemCompatibility
 
-\ChemCompatibilityBetween{5.2}{5.7}
+\ChemCompatibilityBetween{5.2}{5.8}
 \cs_new_protected:Npn \chemmacros_cip:n #1
   {
     \int_zero:N \l__chemmacros_tmpa_int
@@ -434,7 +434,7 @@
 % #1: pre break
 % #2: post break
 % #3: no break
-\ChemCompatibilityTo{5.0}
+\ChemCompatibilityTo{5.1}
 \cs_new_protected:Npn \__chemmacros_break_point_insert:nnn #1#2#3
   {
     \chemmacros_nobreak:
@@ -443,12 +443,12 @@
   }
 \EndChemCompatibility
 
-\ChemCompatibilityFrom{5.1}
+\ChemCompatibilityBetween{5.1}{5.8}
 \cs_new_protected:Npn \__chemmacros_break_point_insert:nnn #1#2#3
   {
     \mode_if_math:TF
       {#3}
-      {
+      {      
         \chemmacros_nobreak:
         \tex_discretionary:D {#1} {#2} {#3}
         \chemmacros_allow_hyphens:
@@ -456,6 +456,22 @@
   }
 \EndChemCompatibility
 
+\ChemCompatibilityFrom{5.8a}
+\cs_new_protected:Npn \__chemmacros_break_point_insert:nnn #1#2#3
+  {
+    \mode_if_math:TF
+      {#3}
+      {
+        \peek_meaning:NTF \group_end:
+          {#3}
+          {
+            \chemmacros_nobreak:
+            \tex_discretionary:D {#1} {#2} {#3}
+            \chemmacros_allow_hyphens:
+          }
+      }
+  }
+\EndChemCompatibility
 
 \dim_new:N  \l__chemmacros_iupac_hyphen_pre_dim
 \dim_set:Nn \l__chemmacros_iupac_hyphen_pre_dim { .01em }
@@ -463,15 +479,17 @@
 \dim_set:Nn \l__chemmacros_iupac_hyphen_post_dim { -.03em }
 \dim_new:N  \l__chemmacros_iupac_break_dim
 \dim_set:Nn \l__chemmacros_iupac_break_dim { .03em }
+\skip_new:N  \l__chemmacros_iupac_break_skip
+\skip_set:Nn \l__chemmacros_iupac_break_skip { .03em plus .07em }
 
 \chemmacros_define_keys:nn {nomenclature}
   {
     hyphen-pre-space  .dim_set:N = \l__chemmacros_iupac_hyphen_pre_dim ,
     hyphen-post-space .dim_set:N = \l__chemmacros_iupac_hyphen_post_dim ,
-    break-space       .dim_set:N = \l__chemmacros_iupac_break_dim
+    break-space       .skip_set:N = \l__chemmacros_iupac_break_skip
   }
 
-\ChemCompatibilityTo{5.1}
+\ChemCompatibilityTo{5.2}
 \cs_new_protected:Npn \chemmacros_break_point_hyphen:
   {
     \__chemmacros_break_point_insert:nnn
@@ -483,18 +501,6 @@
         \tex_kern:D \l__chemmacros_iupac_hyphen_post_dim
       }
   }
-
-\cs_new_protected:Npn \chemmacros_break_point:
-  {
-    \__chemmacros_break_point_insert:nnn
-      {-}
-      { }
-      {
-        \mode_if_math:TF
-          { | }
-          { \tex_kern:D \l__chemmacros_iupac_break_dim }
-      }
-  }
 \EndChemCompatibility
 
 \ChemCompatibilityFrom{5.2}
@@ -509,6 +515,7 @@
         \tex_kern:D \l__chemmacros_iupac_hyphen_post_dim
       }
   }
+\EndChemCompatibility
 
 \cs_new_protected:Npn \chemmacros_break_point:
   {
@@ -521,7 +528,6 @@
           { \tex_kern:D \l__chemmacros_iupac_break_dim }
       }
   }
-\EndChemCompatibility
 
 \cs_new_protected:Npn \chemmacros_break_point_opening_paren:
   { \__chemmacros_break_point_insert:nnn { - } { ( } { ( } }
@@ -584,10 +590,13 @@
 
 \cs_new_protected:Npn \chemmacros_make_shorthands:
   {
-    \chemmacros_if_document:T
+    \chemmacros_if_compatibility:nnT {>=} {5.2}
       {
-        \chemmacros_for_all_iupac_shorthands_do:n
-          { \prop_item:Nn \l__chemmacros_iupac_shorthands_prop {##1} }
+        \chemmacros_if_document:T
+          {
+            \chemmacros_for_all_iupac_shorthands_do:n
+              { \prop_item:Nn \l__chemmacros_iupac_shorthands_prop {##1} }
+          }
       }
   }
 
@@ -653,7 +662,7 @@
 
 \cs_new_protected:Npn \chemmacros_iupac:n #1 { \chemmacros_iupac:nn {} {#1} }
 
-\ChemCompatibilityTo{5.2}
+\ChemCompatibilityTo{5.3}
 % Thanks to Joseph Wright and Enrico Gregorio for the help on the curious
 % redefinition of \- and the end of the compilation
 % see http://tex.stackexchange.com/q/42405/5049 for reference
@@ -745,7 +754,7 @@
 \NewChemMacroset {Latin} {mm}
   { \chemmacros_define_latin:Nn #1 {#2} }
 
-\ChemCompatibilityTo{5.6}
+\ChemCompatibilityTo{5.7}
 \chemmacros_define_keys:nn {nomenclature}
   {
     latin-format .tl_set:N  = \l__chemmacros_latin_format_tl ,
@@ -886,3 +895,5 @@
 2017/04/17 - fix erroneous definition of \chemmacros_allow_hyphens:
            - new options `cip-inner-format', `cip-outer-format' and
              `cip-number-format'
+2017/06/11 - change behaviour of \__chemmacros_break_point_insert:nnn so
+             it does nothing as last token in \iupac
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.particles.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.particles.code.tex
index 82473a53325..44cde878408 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.particles.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.particles.code.tex
@@ -130,7 +130,7 @@
 \NewChemNucleophile \Nuc {Nu}
 \NewChemNucleophile \ba  {ba}
 
-\ChemCompatibilityTo{5.2}
+\ChemCompatibilityTo{5.3}
   \DeclareChemDeprecated \Hto \Oxo
   \DeclareChemDeprecated \Nu \Nuc
 \EndChemCompatibility
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.phases.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.phases.code.tex
index 2a5069f5bbb..5f2bcc1dcda 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.phases.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.phases.code.tex
@@ -44,7 +44,7 @@
 \NewChemMacroset {Phase} {mm}
   { \chemmacros_define_phase:Nn #1 {#2} }
 
-\ChemCompatibilityTo{5.6}
+\ChemCompatibilityTo{5.7}
 \cs_new_protected:Npn \chemmacros_define_phase:Nn #1#2
   {
     \tl_set:Nx \l__chemmacros_tmpa_tl { phase-\chemmacros_remove_backslash:N #1 }
@@ -98,7 +98,7 @@
 \NewChemPhase \aq  {aq}
 
 % --------------------------------------------------------------------------
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \DeclareTranslation {English} {phase-sld} {s}
 \DeclareTranslation {German}  {phase-sld} {f}
 
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.reactions.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.reactions.code.tex
index 7dde472d7a6..35be8b3e905 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.reactions.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.reactions.code.tex
@@ -91,7 +91,7 @@
   { \l__chemmacros_reaction_heading_tl {#1} }
 \cs_generate_variant:Nn \__chemmacros_reaction_heading:n { V }
 
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \tl_set:Nn \l__chemmacros_reaction_lorname_tl
   { \chemmacros_translate:n {reaction} }
 \EndChemCompatibility
@@ -139,7 +139,7 @@
     \@starttoc {lor}
   }
 
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \cs_new_protected:Npn \l@reaction #1#2
   { \@dottedtocline {1} {1.5em} {2.3em} {#1} {#2} }
 \EndChemCompatibility
@@ -204,7 +204,7 @@
 \EndChemCompatibility
   
 % create new tagform
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \newtagform {reaction} {\{} {\}}
 \EndChemCompatibility
 \ChemCompatibilityFrom{5.6}
@@ -216,7 +216,7 @@
 \newcounter {chemmacros_save_reaction}
 \newcounter {reaction}
 
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \cs_new_protected:Npn \__chemmacros_begin_reaction:
   {
     % create individual names for `hyperref':
@@ -291,7 +291,7 @@
   }
 \cs_generate_variant:Nn \chemmacros_declare_reaction_env:nnnn {nnnV}
 
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \cs_new_protected:Npn \chemmacros_reaction_read:nnw #1#2#3 \end
   {
     \begin{#1}#2
@@ -348,7 +348,7 @@
 \NewChemReaction {reactions*} {align*}
 
 % --------------------------------------------------------------------------
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \DeclareTranslationFallback   {list-of-reactions} {List~ of~ Reactions}
 \DeclareTranslation {English} {list-of-reactions} {List~ of~ Reactions}
 \DeclareTranslation {German}  {list-of-reactions} {Reaktionsverzeichnis}
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.redox.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.redox.code.tex
index 8d9918e498a..9e95b9b076a 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.redox.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.redox.code.tex
@@ -82,7 +82,7 @@
     \group_end:
   }
 
-\ChemCompatibilityTo{5.3}
+\ChemCompatibilityTo{5.4}
 \cs_new_protected:Npn \__chemmacros_ox_sign:n #1
   {
     \bool_if:nT
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.scheme.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.scheme.code.tex
index 8a3ed06c620..1a07bd1c500 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.scheme.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.scheme.code.tex
@@ -247,7 +247,7 @@
   }
 
 % --------------------------------------------------------------------------
-\ChemCompatibilityTo{5.5}
+\ChemCompatibilityTo{5.6}
 \DeclareTranslationFallback   {scheme-name} {Scheme}
 \DeclareTranslation {English} {scheme-name} {Scheme}
 \DeclareTranslation {German}  {scheme-name} {Schema}
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.spectroscopy.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.spectroscopy.code.tex
index 8ba4c066cc6..30223fc583f 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.spectroscopy.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.spectroscopy.code.tex
@@ -120,7 +120,7 @@
     \tl_set:Nn \l__chemmacros_nmr_element_default_tl {#2}
   }
 
-\ChemCompatibilityTo{5.7}
+\ChemCompatibilityTo{5.8}
 \cs_new_protected:Npn \__chemmacros_nmr_base:nn #1#2
   {
     \tl_if_blank:VF \g__chemmacros_nmr_element_coupled_tl
@@ -363,11 +363,11 @@
 \NewDocumentCommand \chemmacros_data:w { smo }
   {
     \bool_if:NT \l__chemmacros_nmr_list_bool { \item }
-    {
-      \tl_use:N \l__chemmacros_nmr_format_tl #2
-      \IfNoValueF {#3} { ~ ( #3 ) }
-      \IfBooleanT {#1} { \bool_if:NT \l__chemmacros_nmr_use_equal_bool { : } }
-    }
+      {
+        \tl_use:N \l__chemmacros_nmr_format_tl #2
+        \IfNoValueF {#3} { ~ ( #3 ) }
+        \IfBooleanT {#1} { \bool_if:NT \l__chemmacros_nmr_use_equal_bool { : } }
+      }
     \IfBooleanF {#1} { \bool_if:NT \l__chemmacros_nmr_use_equal_bool { ~ = } }
   }
 
@@ -448,7 +448,11 @@
         \tl_set:Nn \l__chemmacros_nmr_coupling_nuclei_tl
           {
             \c_math_subscript_token
-              { \chemmacros_chemformula:n {#2} }
+              {
+                \l__chemmacros_nmr_coupling_nuclei_pre_tl
+                \chemmacros_chemformula:n {#2}
+                \l__chemmacros_nmr_coupling_nuclei_post_tl
+              }
           }
       }
       {
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.thermodynamics.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.thermodynamics.code.tex
index 3d97ecbb6cb..cf49fd0695b 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.thermodynamics.code.tex
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.thermodynamics.code.tex
@@ -137,7 +137,7 @@
 \NewChemState \entropy  { symbol = S , unit = \joule\per\kelvin\per\mole , pre = }
 \NewChemState \gibbs    { symbol = G , unit = \kilo\joule\per\mole }
 
-\ChemCompatibilityTo{5.2}
+\ChemCompatibilityTo{5.3}
   \DeclareChemDeprecated \State    \state
   \DeclareChemDeprecated \Enthalpy \enthalpy
   \DeclareChemDeprecated \Entropy  \entropy
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index a2a94addd3e..03d7b33bd91 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
@@ -31,10 +31,10 @@
 
 % --------------------------------------------------------------------------
 % package information:
-\tl_const:Nn \c_chemmacros_date_tl {2017/04/24}
+\tl_const:Nn \c_chemmacros_date_tl {2017/06/13}
 \tl_const:Nn \c_chemmacros_version_major_number_tl {5}
 \tl_const:Nn \c_chemmacros_version_minor_number_tl {8}
-\tl_const:Nn \c_chemmacros_version_subrelease_tl   {}
+\tl_const:Nn \c_chemmacros_version_subrelease_tl   {a}
 \tl_const:Nx \c_chemmacros_version_number_tl
   {
     \c_chemmacros_version_major_number_tl .
@@ -56,8 +56,8 @@
 
 % --------------------------------------------------------------------------
 % set compatibility
-\fp_new:N \l__chemmacros_compatibility_version_fp
-\fp_set:Nn \l__chemmacros_compatibility_version_fp {\c_chemmacros_version_number_tl}
+\tl_new:N \l__chemmacros_compatibility_version_tl
+\tl_set_eq:NN \l__chemmacros_compatibility_version_tl \c_chemmacros_version_tl
 
 \keys_define:nn {chemmacros/compatibility}
   {
@@ -68,10 +68,11 @@
           {latest} {}
         }
         {
-          \fp_set:Nn \l__chemmacros_compatibility_version_fp
-            { \c_chemmacros_version_number_tl }
+          \tl_set_eq:NN
+            \l__chemmacros_compatibility_version_tl
+            \c_chemmacros_version_tl
         }
-        { \fp_set:Nn \l__chemmacros_compatibility_version_fp {#1} } ,
+        { \tl_set:Nn \l__chemmacros_compatibility_version_tl {#1} } ,
     unknown       .code:n =
       \PassOptionsToPackage{\CurrentOption}{chemmacros4}
       \PassOptionsToPackage{\CurrentOption}{chemmacros5}
@@ -81,36 +82,92 @@
 
 % --------------------------------------------------------------------------
 % compare version numbers
-% #1: number
+% #1: version
 % #2: relation
-% #3: number
+% #3: version
 % #4: true
 % #5: false
 \prg_new_conditional:Npnn \chemmacros_if_version:nnn #1#2#3 {p,T,F,TF}
   {
-    \fp_compare:nTF { floor(#1) = floor(#3) }
+    \fp_compare:nTF
       {
-        \fp_compare:nTF
-          {
-            ( \chemmacros_get_minor_version:f {#1} )
-            #2
-            ( \chemmacros_get_minor_version:f {#3} )
-          }
-          { \prg_return_true: }
-          { \prg_return_false: }
-      }
-      {
-        \fp_compare:nTF { (#1) #2 (#3) }
-          { \prg_return_true: }
-          { \prg_return_false: }
+        (
+          \chemmacros_get_major_version:n {#1} * 1e6 +
+          \chemmacros_get_minor_version:n {#1} * 1e3 +
+          0 \chemmacros_get_subrelease:n {#1}
+        )
+        #2
+        (
+          \chemmacros_get_major_version:n {#3} * 1e6 +
+          \chemmacros_get_minor_version:n {#3} * 1e3 +
+          0 \chemmacros_get_subrelease:n {#3}
+        )
       }
+      { \prg_return_true: }
+      { \prg_return_false: }
   }
+\cs_generate_variant:Nn \chemmacros_if_version:nnnTF {fnf}
 
 \cs_new:Npn \__chemmacros_get_minor_version:w #1.#2.#3 \q_stop
-  { \tl_if_blank:nTF {#2} {0} {#2} }
+  {
+    \tl_if_blank:nTF {#2} {0} {
+       \tl_map_function:nN {#2} \__chemmacros_get_minor_number:n
+    }
+  }
+
 \cs_new:Npn \chemmacros_get_minor_version:n #1
   { \__chemmacros_get_minor_version:w #1.. \q_stop }
-\cs_generate_variant:Nn \chemmacros_get_minor_version:n {f}
+
+\cs_new:Npn \__chemmacros_get_minor_number:n #1
+  {
+    \str_case:nn {#1}
+      {
+        {0} {0}
+        {1} {1}
+        {2} {2}
+        {3} {3}
+        {4} {4}
+        {5} {5}
+        {6} {6}
+        {7} {7}
+        {8} {8}
+        {9} {9}
+      }
+  }
+
+\cs_new:Npn \__chemmacros_get_major_version:w #1.#2.#3 \q_stop
+  { \tl_if_blank:nTF {#1} {0} {#1} }
+
+\cs_new:Npn \chemmacros_get_major_version:n #1
+  { \__chemmacros_get_major_version:w #1.. \q_stop }
+
+\cs_new:Npn \__chemmacros_get_subrelease:w #1.#2.#3 \q_stop
+  {
+    \tl_if_blank:nTF {#2} {0} {
+       \tl_map_function:nN {#2} \__chemmacros_get_subrelease_number:n
+    }
+  }
+
+\cs_new:Npn \chemmacros_get_subrelease:n #1
+  { \__chemmacros_get_subrelease:w #1.. \q_stop }
+
+\cs_new:Npn \__chemmacros_get_subrelease_number:n #1
+  {
+    \str_case:nnF {#1}
+      {
+        {0} {}
+        {1} {}
+        {2} {}
+        {3} {}
+        {4} {}
+        {5} {}
+        {6} {}
+        {7} {}
+        {8} {}
+        {9} {}
+      }
+      { \int_from_alph:n {#1} }
+  }
 
 % check compatibility
 % #1: relation
@@ -119,8 +176,8 @@
 % #4: false
 \prg_new_conditional:Npnn \chemmacros_if_compatibility:nn #1#2 {p,T,F,TF}
   {
-    \chemmacros_if_version:nnnTF
-      { \fp_to_decimal:N \l__chemmacros_compatibility_version_fp }
+    \chemmacros_if_version:fnfTF
+      { \l__chemmacros_compatibility_version_tl }
       {#1}
       {#2}
       { \prg_return_true: }
@@ -129,13 +186,13 @@
 \cs_generate_variant:Nn \chemmacros_if_compatibility:nnT {nV}
 
 % user checks:
-\NewDocumentCommand \IfChemCompatibilityTF {mm+m+m}
+\NewExpandableDocumentCommand \IfChemCompatibilityTF {mm+m+m}
   { \chemmacros_if_compatibility:nnTF {#1} {#2} {#3} {#4} }
 
-\NewDocumentCommand \IfChemCompatibilityT {mm+m}
+\NewExpandableDocumentCommand \IfChemCompatibilityT {mm+m}
   { \chemmacros_if_compatibility:nnT {#1} {#2} {#3} }
 
-\NewDocumentCommand \IfChemCompatibilityF {mm+m}
+\NewExpandableDocumentCommand \IfChemCompatibilityF {mm+m}
   { \chemmacros_if_compatibility:nnF {#1} {#2} {#3} }
 
 % --------------------------------------------------------------------------
@@ -147,14 +204,14 @@
   { \chemmacros_if_compatibility:nnT {>=} {#1} {#2} }
 
 \cs_new_protected:Npn \ChemCompatibilityTo #1#2 \EndChemCompatibility
-  { \chemmacros_if_compatibility:nnT {<=} {#1} {#2} }
+  { \chemmacros_if_compatibility:nnT {<} {#1} {#2} }
 
 \cs_new_protected:Npn \ChemCompatibilityBetween #1#2#3 \EndChemCompatibility
   {
     \bool_if:nT
       {
         \chemmacros_if_compatibility_p:nn {>=} {#1} &&
-        \chemmacros_if_compatibility_p:nn {<=} {#2}
+        \chemmacros_if_compatibility_p:nn {<} {#2}
       }
       {#3}
   }
@@ -170,23 +227,24 @@
 \msg_new:nnn {chemmacros} {too-high-compatibility}
   {
     You~ requested~ compatibility~ mode~ v #1~ while~ the~ current~ version~
-    of~ chemmacros~ is~ v \c_chemmacros_version_number_tl .~ Falling~ back~
+    of~ chemmacros~ is~ v \c_chemmacros_version_tl .~ Falling~ back~
     to~ v \c_chemmacros_version_number_tl !
   }
 
 \msg_new:nnn {chemmacros} {low-compatibility}
   {
     You~ requested~ compatibility~ mode~ v #1~ while~ the~ current~ version~
-    of~ chemmacros~ is~ v \c_chemmacros_version_number_tl .~ Not~ all~ features~
-    will~ be~ available!
+    of~ chemmacros~ is~ v \c_chemmacros_version_tl .~ Not~ all~ features~
+    or~ fixes~ will~ be~ available!
   }
 
 % --------------------------------------------------------------------------
 % let's see that the max number is the newest (=current) version
-\chemmacros_if_compatibility:nnT {>} { \c_chemmacros_version_number_tl }
+\chemmacros_if_compatibility:nnT {>} { \c_chemmacros_version_tl }
   {
-    \fp_set:Nn \l__chemmacros_compatibility_version_fp
-      { \c_chemmacros_version_number_tl }
+    \tl_set_eq:NN
+      \l__chemmacros_compatibility_version_tl
+      \c_chemmacros_version_tl
   }
 
 % --------------------------------------------------------------------------
@@ -194,14 +252,14 @@
 \chemmacros_if_compatibility:nnT {<} {4.7}
   {
     \msg_warning:nnx {chemmacros} {too-low-compatibility}
-      { \fp_to_tl:N \l__chemmacros_compatibility_version_fp }
+      { \l__chemmacros_compatibility_version_tl }
   }
 
 % not the newest version:
-\chemmacros_if_compatibility:nnT {<} { \c_chemmacros_version_number_tl }
+\chemmacros_if_compatibility:nnT {<} { \c_chemmacros_version_tl }
   {
     \msg_warning:nnx {chemmacros} {low-compatibility}
-      { \fp_to_tl:N \l__chemmacros_compatibility_version_fp }
+      { \l__chemmacros_compatibility_version_tl }
   }
   
 % --------------------------------------------------------------------------