From 35bab12ed08e2b9d3d1f9f32b5b4ea7ed534256a Mon Sep 17 00:00:00 2001
From: "Robert T. McGibbon" <rmcgibbo@gmail.com>
Date: Sun, 22 Nov 2020 17:02:20 -0500
Subject: [PATCH] inchi: init at 1.05

---
 pkgs/development/libraries/inchi/default.nix | 51 ++++++++++++++++++++
 pkgs/top-level/all-packages.nix              |  2 +
 2 files changed, 53 insertions(+)
 create mode 100644 pkgs/development/libraries/inchi/default.nix

diff --git a/pkgs/development/libraries/inchi/default.nix b/pkgs/development/libraries/inchi/default.nix
new file mode 100644
index 00000000000..86901100759
--- /dev/null
+++ b/pkgs/development/libraries/inchi/default.nix
@@ -0,0 +1,51 @@
+{ pkgs, fetchurl, stdenv, unzip }:
+stdenv.mkDerivation {
+  pname = "inchi";
+  version = "1.05";
+  src = fetchurl {
+    url = "http://www.inchi-trust.org/download/105/INCHI-1-SRC.zip";
+    sha1 = "e3872a46d58cb321a98f4fd4b93a989fb6920b9c";
+  };
+
+  nativeBuildInputs = [ pkgs.unzip ];
+  outputs = [ "out" "doc" ];
+
+  enableParallelBuilding = true;
+
+  preBuild = ''
+    cd ./INCHI_API/libinchi/gcc
+  '';
+  installPhase = ''
+    cd ../../..
+    mkdir -p $out/lib
+    mkdir -p $out/include/inchi
+    mkdir -p $doc/share/
+
+    install -m 755 INCHI_API/bin/Linux/libinchi.so.1.05.00 $out/lib
+    ln -s $out/lib/libinchi.so.1.05.00 $out/lib/libinchi.so.1
+    ln -s $out/lib/libinchi.so.1.05.00 $out/lib/libinchi.so
+    install -m 644 INCHI_BASE/src/*.h $out/include/inchi
+
+    runHook postInstall
+  '';
+
+  postInstall =
+    let
+      src-doc = fetchurl {
+        url = "http://www.inchi-trust.org/download/105/INCHI-1-DOC.zip";
+        sha1 = "2f54y0san34v01c215kk0cigzsn76js5";
+      };
+    in
+    ''
+      unzip '${src-doc}'
+      install -m 644 INCHI-1-DOC/*.pdf $doc/share
+    '';
+
+  meta = with stdenv.lib; {
+    homepage = "https://www.inchi-trust.org/";
+    description = "IUPAC International Chemical Identifier library";
+    license = licenses.lgpl2Plus;
+    platforms = platforms.all;
+    maintainers = with maintainers; [ rmcgibbo ];
+  };
+}
diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix
index e198d3ca5d1..cab1f950048 100644
--- a/pkgs/top-level/all-packages.nix
+++ b/pkgs/top-level/all-packages.nix
@@ -2312,6 +2312,8 @@ in
 
   icdiff = callPackage ../tools/text/icdiff {};
 
+  inchi = callPackage ../development/libraries/inchi {};
+
   ifm = callPackage ../tools/graphics/ifm {};
 
   ink = callPackage ../tools/misc/ink { };