Development

.github/workflows/dev-build.yml

@@ -37,6 +37,10 @@ jobs:
       - name: Check out the repo
         uses: actions/checkout@v4
 
+      # Enable multi-architecture builds via QEMU emulation
+      - name: Set up QEMU
+        uses: docker/setup-qemu-action@v3
+
       # Enable advanced Docker build features (required for caching)
       - name: Set up Docker Buildx
         uses: docker/setup-buildx-action@v3
@@ -64,6 +68,7 @@ jobs:
           context: .
           file: ./Dockerfile
           push: true
+          platforms: linux/amd64,linux/arm64
           build-args: RELEASE_VERSION=${{ env.RELEASE_TAG }}
           tags: ${{ env.REPOSITORY_NAMESPACE }}/${{ env.NMRKIT_REPOSITORY_NAME }}:${{ env.RELEASE_TAG }}
           cache-from: type=registry,ref=${{ env.REPOSITORY_NAMESPACE }}/${{ env.NMRKIT_REPOSITORY_NAME }}:buildcache
@@ -77,6 +82,7 @@ jobs:
           context: ./app/scripts/nmr-cli/
           file: ./app/scripts/nmr-cli/Dockerfile
           push: true
+          platforms: linux/amd64,linux/arm64
           build-args: RELEASE_VERSION=${{ env.RELEASE_TAG }}
           tags: ${{ env.REPOSITORY_NAMESPACE }}/${{ env.NMR_CLI_REPOSITORY_NAME }}:${{ env.RELEASE_TAG }}
           cache-from: type=registry,ref=${{ env.REPOSITORY_NAMESPACE }}/${{ env.NMR_CLI_REPOSITORY_NAME }}:buildcache

.github/workflows/prod-build.yml

@@ -73,6 +73,10 @@ jobs:
       - name: Check out the repo
         uses: actions/checkout@v4
 
+      # Enable multi-architecture builds via QEMU emulation
+      - name: Set up QEMU
+        uses: docker/setup-qemu-action@v3
+
       # Enable advanced Docker build features (required for caching)
       - name: Set up Docker Buildx
         uses: docker/setup-buildx-action@v3
@@ -108,6 +112,7 @@ jobs:
           context: .
           file: ./Dockerfile
           push: true
+          platforms: linux/amd64,linux/arm64
           build-args: RELEASE_VERSION=${{ steps.release_version.outputs.release }}
           tags: |
             ${{ env.REPOSITORY_NAMESPACE }}/${{ env.NMRKIT_REPOSITORY_NAME }}:${{ env.RELEASE_TAG }}
@@ -123,6 +128,7 @@ jobs:
           context: ./app/scripts/nmr-cli/
           file: ./app/scripts/nmr-cli/Dockerfile
           push: true
+          platforms: linux/amd64,linux/arm64
           build-args: RELEASE_VERSION=${{ steps.release_version.outputs.release }}
           tags: |
             ${{ env.REPOSITORY_NAMESPACE }}/${{ env.NMR_CLI_REPOSITORY_NAME }}:${{ env.RELEASE_TAG }}

CHANGELOG.md

@@ -1,33 +1,5 @@
 # Changelog
 
-## [1.1.1](https://github.com/NFDI4Chem/nmrkit/compare/v1.1.0...v1.1.1) (2026-07-27)
-
-
-### Bug Fixes
-
-* scalar route fix ([9354daa](https://github.com/NFDI4Chem/nmrkit/commit/9354daa606766de31bfad12bde3dffcdd5c9762c))
-* **scalar:** remove duplicate OpenAPI tags from endpoint schemas ([#125](https://github.com/NFDI4Chem/nmrkit/issues/125)) ([31c5027](https://github.com/NFDI4Chem/nmrkit/commit/31c50278bcd1ec2799b10e2c7644623d129a4eb8))
-* **spectra:** increase spectra api execution timeout to 10 minutes ([#126](https://github.com/NFDI4Chem/nmrkit/issues/126)) ([52d0a12](https://github.com/NFDI4Chem/nmrkit/commit/52d0a12b3ee358198ddeaaaa2df73285175f2cb5))
-
-## [1.1.0](https://github.com/NFDI4Chem/nmrkit/compare/v1.0.0...v1.1.0) (2026-07-22)
-
-
-### Features
-
-* improve prediction with molfile ([ab20577](https://github.com/NFDI4Chem/nmrkit/commit/ab20577306584b3d0cf7f5cec64dc70125a150b5))
-
-
-### Bug Fixes
-
-* add scalar-fastapi to requirements.txt for scalar API support ([#119](https://github.com/NFDI4Chem/nmrkit/issues/119)) ([965abd7](https://github.com/NFDI4Chem/nmrkit/commit/965abd71c719911e77672100bd97bd12eba99543))
-* numpy version to <2 to resolve compatibility issues ([#117](https://github.com/NFDI4Chem/nmrkit/issues/117)) ([4c5881a](https://github.com/NFDI4Chem/nmrkit/commit/4c5881aa1ff2a518c1f56674d90114d0ff513a3c))
-
-
-### Documentation
-
-* ignore dead links in localhost for vitepress config ([e78d7cf](https://github.com/NFDI4Chem/nmrkit/commit/e78d7cfbd83707d567ac66012f02c28bdde6ecf3))
-* migrate to Scalar and complete documentation update ([#114](https://github.com/NFDI4Chem/nmrkit/issues/114)) ([34b2195](https://github.com/NFDI4Chem/nmrkit/commit/34b2195718d0e68d813b354954ed932b7c89c898))
-
 ## [0.2.0](https://github.com/NFDI4Chem/nmrkit/compare/v0.1.0...v0.2.0) (2026-07-15)
 
 

Dockerfile

@@ -1,4 +1,5 @@
 FROM continuumio/miniconda3:24.1.2-0 AS nmrkit-ms
+ARG TARGETARCH=amd64
 
 ENV PYTHON_VERSION=3.10
 ENV OPENBABEL_VERSION=v3.1
@@ -30,8 +31,7 @@ RUN pip3 install rdkit
 
 RUN python3 -m pip install -U pip
 
-ENV JAVA_HOME=/usr/lib/jvm/java-17-openjdk-amd64/
-RUN export JAVA_HOME
+ENV JAVA_HOME=/usr/lib/jvm/java-17-openjdk-${TARGETARCH}/
 
 RUN git clone "https://github.com/rinikerlab/lightweight-registration.git" lwreg
 RUN chmod +x lwreg