v7.5 release (#36)

* prepare for v7.5 release

* clean rsync of LillyMol

.github/workflows/ci_process.yml

@@ -15,11 +15,11 @@ jobs:
       run: make build_docker
     - name: Run the project
       run: |
-        docker-compose up -d
+        docker compose up -d
         sleep 30
     - name: Run unit tests
       run: |
         set -o pipefail
         make test_lillymol | tee ./unit_test_results.txt
     - name: Stop running
-      run: docker-compose down
+      run: docker compose down

.vilerc

@@ -0,0 +1,35 @@
+set nowrapscan
+set ignorecase
+set autoindent
+set nobackspacelimit
+set check-modtime
+set notabinsert
+set undolimit 100
+set view-on-readonly
+set c-shiftwidth 2
+set shiftwidth 2
+set cmode
+set showmatch
+set shell=/bin/bash
+set popup-choices immediate
+bind-key next-page \s
+set c-suffixes "\\.\\(\\([Cchis]\\)\\|CC\\|cpp\\|cxx\\|hxx\\|scm\\|cc\\)$"
+
+store-procedure buffer_action
+  set title $cfilname
+  set iconname $cbufname
+~endm
+~if &seq $progname "xvile"
+  set buffer-hook buffer_action
+~endif
+
+; word completion in insert mode (Komplete, Next, Previous)
+; allows backspacing over inserted word
+; ^K        map      complete word
+; ^N        map      try next word for completion
+; ^P        map      try previous word for completion
+
+map!  . hbmmi?\<2h"zdt.@zywmx`mPea dwbis"zdt.x@z
+map!  . hbmmi/\<2h"zdt.@zywmx`mPea dwbis"zdt.x@z
+map!  . hbdwmm`xnywmx`mPea dwbis"zdt.x@z
+map!  . hbdwmm`xNywmx`mPea dwbis"zdt.x@z

README.md

@@ -11,6 +11,10 @@ LillyMol has some novel approaches to substructure searching, reaction enumerati
 chemical similarity. These have been developed over many years, driven by the needs
 of Computational and Medicinal Chemists at Lilly and elsewhere.
 
+Recent work has focussed on making *de-novo* molecule construction and there are
+several tools desiged to either support or complement A/I driven molecule
+generation.
+
 LillyMol is fast and scalable, with modest memory requirements.
 
 This release includes a number of C++ unit tests. All
@@ -96,9 +100,6 @@ sudo apt install python-dev libblas-dev
 ```
 Things seem to work seamlessly in virtualenv.
 
-Installation within virtualenv works well.
-
-
 # TLDR
 If you have bazelisk and gcc installed, there is a reasonable possibility that
 issuing `make` in the top level directory will work (but see note below