From 6c570300c4950a195c9d8650476959efe6288705 Mon Sep 17 00:00:00 2001
From: MichelML <michmoreau.l@gmail.com>
Date: Thu, 22 Aug 2024 21:58:47 -0600
Subject: [PATCH] commit script and dockerfile that works

---
 Dockerfile               |  5 +++--
 package.json             |  4 ++--
 scripts/build_rdkitjs.sh | 21 +++++++++++++++++++--
 scripts/ci.sh            |  8 ++++++++
 4 files changed, 32 insertions(+), 6 deletions(-)
 create mode 100644 scripts/ci.sh

diff --git a/Dockerfile b/Dockerfile
index a806d4cb..777e5286 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -26,7 +26,7 @@ ARG BOOST_MAJOR_VERSION="1"
 ARG BOOST_MINOR_VERSION="84"
 ARG BOOST_PATCH_VERSION="0"
 
-FROM --platform=linux/amd64 debian:bookworm as build-stage
+FROM debian:bookworm as build-stage
 ARG RDKIT_GIT_URL
 ARG RDKIT_BRANCH
 ARG EMSDK_VERSION
@@ -39,11 +39,12 @@ LABEL maintainer="Greg Landrum <greg.landrum@t5informatics.com>"
 RUN apt-get update && apt-get upgrade -y && apt install -y \
   curl \
   wget \
-  cmake/buster-backports \
+  cmake \
   python3 \
   g++ \
   libeigen3-dev \
   git \
+  xz-utils \
   nodejs
 
 ENV LANG C
diff --git a/package.json b/package.json
index ed6e0d45..f3d6458f 100644
--- a/package.json
+++ b/package.json
@@ -1,7 +1,7 @@
 {
   "name": "@rdkit/rdkit",
-  "version": "2023.9.2-1.0.0",
-  "private": true,
+  "version": "2024.3.5-1.0.0",
+  "private": false,
   "description": "JavaScript distribution of cheminformatics functionality from the RDKit - a C++ library for cheminformatics.",
   "main": "dist/RDKit_minimal.js",
   "types": "dist/index.d.ts",
diff --git a/scripts/build_rdkitjs.sh b/scripts/build_rdkitjs.sh
index 4c0d1c71..021e3d34 100644
--- a/scripts/build_rdkitjs.sh
+++ b/scripts/build_rdkitjs.sh
@@ -25,10 +25,27 @@ mkdir -p $MINIMALLIB_OUTPUT_PATH
 # legacy minimallib output path
 LEGACY_MINIMALLIB_OUTPUT_PATH="Code/MinimalLib/dist"
 rm -rf $LEGACY_MINIMALLIB_OUTPUT_PATH
-mkdir -p $LEGACY_MINIMALLIB_OUTPUT_PATH 
+mkdir -p $LEGACY_MINIMALLIB_OUTPUT_PATH
 
 # Build distribution files
-DOCKER_BUILDKIT=1 docker build --no-cache -f Dockerfile --build-arg RDKIT_BRANCH=$RDKIT_BRANCH -o $MINIMALLIB_OUTPUT_PATH .
+DOCKER_BUILDKIT=1 docker build --no-cache --platform=linux/amd64 -f Dockerfile --build-arg RDKIT_BRANCH=$RDKIT_BRANCH -o $MINIMALLIB_OUTPUT_PATH .
+
+# Make dist files executable
+chmod a+rwx $MINIMALLIB_OUTPUT_PATH/RDKit_minimal.js
+chmod a+rwx $MINIMALLIB_OUTPUT_PATH/RDKit_minimal.wasm
+
+# Add a copy of the distribution files at the original rdkit location
+# for backwards compatibility
+cp $MINIMALLIB_OUTPUT_PATH/RDKit_minimal.js $LEGACY_MINIMALLIB_OUTPUT_PATH/RDKit_minimal.js
+cp $MINIMALLIB_OUTPUT_PATH/RDKit_minimal.wasm $LEGACY_MINIMALLIB_OUTPUT_PATH/RDKit_minimal.wasm
+
+# Move docs file in dist folder for demos to work properly
+cp docs/demo.html $MINIMALLIB_OUTPUT_PATH/demo.html
+cp docs/GettingStartedInJS.html $MINIMALLIB_OUTPUT_PATH/GettingStartedInJS.html
+
+# Log build completed
+echo "Build completed"
+echo "MinimalLib distribution files are at $MINIMALLIB_OUTPUT_PATH"
 
 # Make dist files executable
 chmod a+rwx $MINIMALLIB_OUTPUT_PATH/RDKit_minimal.js
diff --git a/scripts/ci.sh b/scripts/ci.sh
new file mode 100644
index 00000000..8210c0a3
--- /dev/null
+++ b/scripts/ci.sh
@@ -0,0 +1,8 @@
+set -e
+
+# Set branch to release
+RDKIT_BRANCH="$RDKIT_BRANCH"
+MINIMALLIB_OUTPUT_PATH="dist"
+
+# Build distribution files
+DOCKER_BUILDKIT=1 docker build --no-cache --platform=linux/amd64 -f Dockerfile --build-arg RDKIT_BRANCH=$RDKIT_BRANCH -o $MINIMALLIB_OUTPUT_PATH .