gnu: avalon-toolkit: Update to 2.0.5a.

The bug freeing static memory and the makefile have been improved upstream, so
we don't have to work around them anymore. Now, two static libraries are built
instead.

* gnu/packages/chemistry.scm (avalon-toolkit): Update to 2.0.5a.
[source]: Switch to git reference from GitHub. Adjust snippet. Add patch from
the RDKit fork.
[arguments]: Remove 'dont-free-static-memory phase. Use provided
makefile. Adjust 'install phase.
* gnu/packages/patches/avalon-toolkit-rdkit-fixes.patch: New file.
* gnu/local.mk (dist_patch_DATA): Add it.

Signed-off-by: Christopher Baines <mail@cbaines.net>

1 files changed, 54 insertions, 77 deletions

diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
index 4a9dd97c5b..5e19bdf182 100644
--- a/gnu/packages/chemistry.scm
+++ b/gnu/packages/chemistry.scm
@@ -917,90 +917,67 @@ calculations and analyzing the results.")
 (define-public avalon-toolkit
   (package
     (name "avalon-toolkit")
-    (version "1.2.0")
-    (source
-     (origin
-       (method url-fetch)
-       (uri (string-append
-             "mirror://sourceforge/avalontoolkit/"
-             "AvalonToolkit_" (substring version 0 3) "/AvalonToolkit_"
-             version ".source.tar"))
-       (sha256
-        (base32
-         "0rnnyy6axs2da7aa4q6l30ldavbk49v6l22llj1adn74h1i67bpv"))
-       (modules '((guix build utils) (ice-9 ftw)))
-       (snippet
-        #~(begin
-            (delete-file-recursively "../SourceDistribution/java")))))
+    (version "2.0.5a")
+    (source (origin
+              (method git-fetch)
+              (uri (git-reference
+                    (url "https://github.com/rohdebe1/ava-formake")
+                    (commit (string-append "AvalonToolkit_" version))))
+              (file-name (git-file-name name version))
+              (sha256
+               (base32
+                "1mfg40y5xc17sm59zdfc5sk22n9zm5zk0z1aw47chvl6hp465szk"))
+              (patches
+               (search-patches "avalon-toolkit-rdkit-fixes.patch"))
+              (modules '((guix build utils) (ice-9 ftw)))
+              (snippet
+               #~(begin
+                   (delete-file-recursively "src/main/java")
+                   (delete-file-recursively "src/test/target")))))
     (build-system gnu-build-system)
     (arguments
      (list
-      ;; There are no intended tests
+      ;; There is only one test, which is missing a file
       #:tests? #f
       #:phases
-      #~(let ((programs '("canonizer" "matchtest" "sketch" "smi2mol" "struchk")))
-          (modify-phases %standard-phases
-            (add-after 'unpack 'chdir
-              (lambda _ (chdir "common")))
-            (delete 'configure)
-            (add-before 'build 'dont-free-static-memory
-              (lambda _
-                (substitute* "reaccsio.c"
-                  (("MyFree\\(.*tempdir\\)" m)
-                   (string-append "/* freeing memory from getenv is bad */"
-                                  "// " m)))))
-            ;; The makefile has incorrect compiler flags and is missing some
-            ;; object files, so we build it ourselves.
-            (replace 'build
-              (lambda _
-                (for-each
-                 (lambda (part)
-                   (format #t "Compiling ~a.c ~~> ~a.o~%" part part)
-                   (invoke #$(cc-for-target) "-c" "-fPIC" "-O2"
-                           (string-append part ".c")
-                           "-o" (string-append part ".o")))
-                 (list "aacheck" "casutils" "denormal" "depictutil"
-                       "didepict" "fixcharges" "forio" "geometry"
-                       "graph" "hashcode" "layout" "local" "pattern"
-                       "perceive" "reaccsio" "rtutils" "set" "shortcut"
-                       "sketch" "ssmatch" "stereo" "symbol_lists"
-                       "symboltable" "utilities"))
-                (display "Building libavalontoolkit.so\n")
-                (apply invoke "gcc" "-fPIC" "-shared" "-lm"
-                       "-o" "libavalontoolkit.so" "canonizer.c" "smi2mol.c"
-                       "struchk.c" "patclean.c" (find-files "." "\\.o$"))
-                ;; patclean is not built here as there is an undeclared
-                ;; variable in main().
-                (for-each
-                 (lambda (program)
-                   (display (string-append "Building " program "\n"))
-                   (invoke "gcc" "-L." "-lavalontoolkit" "-lm" "-O2"
-                           (string-append "-Wl,-rpath=" #$output "/lib")
-                           "-DMAIN" (string-append program ".c") "-o" program))
-                 programs)))
-            (replace 'install
-              (lambda _
-                ;; Executables
+      #~(modify-phases %standard-phases
+          (delete 'configure)
+          (replace 'build
+            (lambda* (#:key parallel-build? #:allow-other-keys)
+              (mkdir "build")
+              (mkdir-p "target/executables")
+              (mkdir-p "target/libraries")
+              (invoke "make" "programs" "-j"
+                      (if parallel-build?
+                          (number->string (parallel-job-count))
+                          "1"))))
+          (replace 'install
+            (lambda _
+              ;; Executables
+              (let ((programs '("canonizer" "matchtest" "smi2mol" "struchk")))
                 (for-each
                  (lambda (program)
-                   (install-file program (string-append #$output "/bin")))
-                 programs)
-                (for-each
-                 (lambda (name)
-                   (symlink (string-append #$output "/bin/smi2mol")
-                            (string-append #$output "/bin/" name)))
-                 '("mol2smi" "rdf2smi" "mol2tbl" "mol2sma" "smi2rdf"))
-                ;; Library
-                (install-file "libavalontoolkit.so"
-                              (string-append #$output "/lib"))
-                (for-each
-                 (lambda (file)
-                   (install-file file (string-append #$output
-                                                    "/include/avalontoolkit")))
-                 (find-files "." "\\.h$"))
-                (install-file "../license.txt"
-                              (string-append #$output "/share/doc/"
-                                             #$name "-" #$version "/"))))))))
+                   (install-file (string-append "target/executables/" program)
+                                 (string-append #$output "/bin")))
+                 programs))
+              (for-each
+               (lambda (name)
+                 (symlink (string-append #$output "/bin/smi2mol")
+                          (string-append #$output "/bin/" name)))
+               '("mol2smi" "rdf2smi" "mol2tbl" "mol2sma" "smi2rdf"))
+              ;; Library
+              (install-file "target/libraries/libavalon_tools.a"
+                            (string-append #$output "/lib"))
+              (install-file "target/libraries/libavalon4rdkit.a"
+                            (string-append #$output "/lib"))
+              (for-each
+               (lambda (file)
+                 (install-file file (string-append #$output
+                                                   "/include/avalontoolkit")))
+               (find-files "src/main/C/include" "\\.h$"))
+              (install-file "license.txt"
+                            (string-append #$output "/share/doc/"
+                                           #$name "-" #$version "/")))))))
     (home-page "https://sourceforge.net/projects/avalontoolkit/")
     (synopsis "Tools for SMILES and MOL files and for structure fingerprinting")
     (description "This package contains a library and programs for