Repair build process

Dockerfile

@@ -10,7 +10,7 @@
 #     native WASM exception handling):
 # docker build -t rdkit-minimallib --network=host \
 #  --build-arg "RDKIT_GIT_URL=https://github.com/myfork/rdkit.git" \
-#  --build-arg "RDKIT_BRANCH=mybranch" \
+#  --build-arg "RDKIT_TAG=Release_2026_03_3" \
 #  --build-arg "EXCEPTION_HANDLING=-fwasm-exceptions".
 #
 # 3. create a temporary container and copy built libraries
@@ -23,7 +23,7 @@
 
 
 ARG RDKIT_GIT_URL="https://github.com/rdkit/rdkit.git"
-ARG RDKIT_BRANCH="master"
+ARG RDKIT_TAG="Release_2026_03_3"
 ARG EMSDK_VERSION="latest"
 ARG EXCEPTION_HANDLING="-fexceptions -sNO_DISABLE_EXCEPTION_CATCHING"
 ARG BOOST_MAJOR_VERSION="1"
@@ -33,7 +33,7 @@ ARG FREETYPE_VERSION="2.13.3"
 
 FROM debian:bookworm as build-stage
 ARG RDKIT_GIT_URL
-ARG RDKIT_BRANCH
+ARG RDKIT_TAG
 ARG EMSDK_VERSION
 ARG EXCEPTION_HANDLING
 ARG BOOST_MAJOR_VERSION
@@ -93,7 +93,7 @@ ENV RDBASE=/src/rdkit
 RUN git clone ${RDKIT_GIT_URL}
 WORKDIR $RDBASE
 RUN git fetch --all --tags && \
-  git checkout ${RDKIT_BRANCH}
+  git checkout tags/${RDKIT_TAG}
 RUN mkdir build
 WORKDIR $RDBASE/build
 RUN emcmake cmake -DRDK_BUILD_FREETYPE_SUPPORT=ON -DRDK_BUILD_MINIMAL_LIB=ON \
@@ -106,7 +106,7 @@ RUN emcmake cmake -DRDK_BUILD_FREETYPE_SUPPORT=ON -DRDK_BUILD_MINIMAL_LIB=ON \
   -DRDK_BUILD_SLN_SUPPORT=OFF -DRDK_USE_BOOST_IOSTREAMS=OFF \
   -DFREETYPE_INCLUDE_DIRS=/opt/freetype/include/freetype2 \
   -DFREETYPE_LIBRARY=/opt/freetype/lib/libfreetype.a \
-  -DCMAKE_CXX_FLAGS="${EXCEPTION_HANDLING} -O3 -DNDEBUG" \
+  -DCMAKE_CXX_FLAGS="${EXCEPTION_HANDLING} -sUSE_ZLIB=1 -O3 -DNDEBUG" \
   -DCMAKE_C_FLAGS="${EXCEPTION_HANDLING} -O3 -DNDEBUG -DCOMPILE_ANSI_ONLY" \
   -DCMAKE_EXE_LINKER_FLAGS="${EXCEPTION_HANDLING} -s STACK_OVERFLOW_CHECK=1 -s USE_PTHREADS=0 -s ALLOW_MEMORY_GROWTH=1 -s MAXIMUM_MEMORY=4GB -s MODULARIZE=1 -s EXPORT_NAME=\"'initRDKitModule'\"" ..
 
@@ -117,13 +117,21 @@ RUN cp /src/rdkit/External/INCHI-API/src/INCHI_BASE/src/util.c /src/rdkit/Extern
 # comment out a line which causes a compilation error on some platforms
 # (based on the change which has already been applied to the RapidJSON master branch, see
 # https://github.com/Tencent/rapidjson/blob/ab1842a2dae061284c0a62dca1cc6d5e7e37e346/include/rapidjson/document.h#L414)
-RUN sed -i 's|^\( *\)\(GenericStringRef\& operator=(const GenericStringRef\& rhs) { s = rhs.s; length = rhs.length; } *\)$|\1//\2|' \
-  /src/rdkit/External/rapidjson-1.1.0/include/rapidjson/document.h
+RUN if [ -f /src/rdkit/External/rapidjson-1.1.0/include/rapidjson/document.h ]; then \
+  sed -i 's|^\( *\)\(GenericStringRef\& operator=(const GenericStringRef\& rhs) { s = rhs.s; length = rhs.length; } *\)$|\1//\2|' \
+    /src/rdkit/External/rapidjson-1.1.0/include/rapidjson/document.h; \
+  fi
 
 # build and "install"
 RUN make -j2 RDKit_minimal && \
   cp Code/MinimalLib/RDKit_minimal.* ../Code/MinimalLib/demo/
 
+# Build the ESM version (using the cached CMake configuration from the previous build). The linker
+# flags are the same as for the non-ESM version, except "-s EXPORT_ES6=1" at the end.
+RUN emcmake cmake -DCMAKE_EXE_LINKER_FLAGS="${EXCEPTION_HANDLING} -s STACK_OVERFLOW_CHECK=1 -s USE_PTHREADS=0 -s ALLOW_MEMORY_GROWTH=1 -s MAXIMUM_MEMORY=4GB -s MODULARIZE=1 -s EXPORT_NAME=\"'initRDKitModule'\" -s EXPORT_ES6=1" .. && \
+  make -j2 RDKit_minimal && \
+  cp Code/MinimalLib/RDKit_minimal.js ../Code/MinimalLib/demo/RDKit_minimal_esm.js
+
 # run the tests
 WORKDIR /src/rdkit/Code/MinimalLib/tests
 RUN /opt/emsdk/node/*/bin/node tests.js
@@ -133,4 +141,4 @@ RUN /opt/emsdk/node/*/bin/node tests.js
 # https://docs.docker.com/engine/reference/commandline/build/#custom-build-outputs
 FROM scratch as export-stage
 COPY --from=build-stage /src/rdkit/Code/MinimalLib/demo /
-COPY --from=build-stage /src/rdkit/Code/MinimalLib/docs /
+COPY --from=build-stage /src/rdkit/Code/MinimalLib/docs /

examples/angular/angular.json

@@ -3,7 +3,9 @@
   "version": 1,
   "cli": {
     "packageManager": "yarn",
-    "schematicCollections": ["@angular-eslint/schematics"],
+    "schematicCollections": [
+      "@angular-eslint/schematics"
+    ],
     "analytics": false
   },
   "newProjectRoot": "projects",
@@ -54,12 +56,14 @@
               "src/assets",
               {
                 "glob": "RDKit_minimal.wasm",
-                "input": "node_modules/@rdkit/rdkit/dist/",
+                "input": "node_modules/@rdkit/rdkit/dist/esm",
                 "output": "/"
               }
             ],
-            "styles": ["src/styles.css"],
-            "scripts": ["node_modules/@rdkit/rdkit/dist/RDKit_minimal.js"],
+            "styles": [
+              "src/styles.css"
+            ],
+            "scripts": [],
             "vendorChunk": true,
             "extractLicenses": false,
             "buildOptimizer": false,
@@ -118,7 +122,10 @@
         "lint": {
           "builder": "@angular-eslint/builder:lint",
           "options": {
-            "lintFilePatterns": ["src/**/*.ts", "src/**/*.html"]
+            "lintFilePatterns": [
+              "src/**/*.ts",
+              "src/**/*.html"
+            ]
           }
         }
       }