increment version and update abstract

CITATION.cff

@@ -8,11 +8,11 @@ message: 'To cite package "volcalc" in publications use:'
 type: software
 license: MIT
 title: 'volcalc: Calculate Volatility of Chemical Compounds'
-version: 2.0.0
-abstract: Use this package to calculate estimated volatility values for individual
-  compounds of interest or for all compounds in a pathway. Calculation uses the SIMPOL
-  method (Prankow and Asher, 2008), and is only currently applicable to compounds
-  and pathways in KEGG.
+version: 2.1.0
+abstract: Use this package to calculate estimated relative volatility
+    index values for organic compounds based on functional group
+    contributions.  Calculation uses the SIMPOL.1 method (Prankow and Asher,
+    2008) or modified SIMPOL.1 method as in Meredith et al. (2023).
 authors:
 - family-names: Riemer
   given-names: Kristina

DESCRIPTION

@@ -1,6 +1,6 @@
 Package: volcalc
 Title: Calculate Volatility of Chemical Compounds
-Version: 2.0.0.9000
+Version: 2.1.0
 Authors@R: c(
     person("Kristina", "Riemer", , "[email protected]", role = c("aut", "cre", "cph"),
            comment = c(ORCID = "0000-0003-3802-3331")),

NEWS.md

@@ -1,4 +1,4 @@
-# volcalc (development version)
+# volcalc 2.1.0
 
 * The manuscript associated with `volcalc` is now published in Frontiers in Microbiology 🎉. DOI: 10.3389/fmicb.2023.1267234
 * There are now two vignettes available which can be viewed with `browseVignettes("volcalc")` or on the package website

inst/CITATION

@@ -5,7 +5,7 @@ c(
     author = c(person("Kristina", "Riemer", comment = c(ORCID = "0000-0003-3802-3331")),
                person("Eric R.", "Scott", comment = c(ORCID = "0000-0002-7430-7879"))), 
     year = "2023",
-    note = "R package version 2.0.0",
+    note = "R package version 2.1.0",
     doi = "10.5281/zenodo.8015155",
     header = "To cite volcalc in publications please use:" 
   ),