From fe09f863d75afe148654a98749ae72685fd75c96 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Thu, 26 Sep 2024 15:10:46 -0600
Subject: [PATCH 1/4] CI: add arm64 builds

---
 .github/workflows/continuous-integration-workflow.yml | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/.github/workflows/continuous-integration-workflow.yml b/.github/workflows/continuous-integration-workflow.yml
index 665bc62..de3d2b6 100644
--- a/.github/workflows/continuous-integration-workflow.yml
+++ b/.github/workflows/continuous-integration-workflow.yml
@@ -38,6 +38,8 @@ jobs:
           - {dockerfile: 'format',   tag: 'latest'}
     runs-on: ubuntu-latest
     steps:
+      - name: Set up QEMU
+        uses: docker/setup-qemu-action@v3
       - name: Set up Docker Buildx
         uses: docker/setup-buildx-action@v2
       - name: Login to Gitlab Container Registry
@@ -60,6 +62,14 @@ jobs:
           echo "args<<EOF" >> $GITHUB_OUTPUT 
           echo ${{ matrix.config.build_args }} | sed 's/,/\n/g' >> $GITHUB_OUTPUT
           echo "EOF" >> $GITHUB_OUTPUT
+      - name: Generate platforms
+        id: platforms
+        run: |
+          if [ "${{ matrix.config.dockerfile }}::${{ matrix.config.tag }}" = "fedora:latest" ]; then
+            echo "linux/amd64,linux/arm64" >> $GITHUB_OUTPUT
+          else
+            echo "linux/amd64" >> $GITHUB_OUTPUT
+          fi
       - name: Build and Push Docker images for all Container Registries
         uses: docker/build-push-action@v3        
         with:

From bf06c7c8a24353e6adacfe708bec0f0458fd49c4 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Thu, 26 Sep 2024 15:21:53 -0600
Subject: [PATCH 2/4] fedora: fix GMX_SIMD for arm64

---
 fedora | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/fedora b/fedora
index 75a9911..378ab00 100644
--- a/fedora
+++ b/fedora
@@ -57,7 +57,7 @@ RUN if [ -n "${GMX_BRANCH}" ] && [ "${GMX_BRANCH}" != "none" ]; then \
   else \
     curl https://gitlab.com/gromacs/gromacs/-/merge_requests/1524.patch | patch -d gromacs -p 1; \
   fi && \
-  cmake -GNinja -S gromacs -B gromacs/build -DCMAKE_INSTALL_PREFIX=/usr -DGMX_SIMD=SSE2 -DGMX_DOUBLE=${GMX_DOUBLE} ${gmx_cmake_opts} && \
+  cmake -GNinja -S gromacs -B gromacs/build -DCMAKE_INSTALL_PREFIX=/usr $(if [ "$(uname -m)" = "x86_64"; then echo -DGMX_SIMD=SSE2; fi) -DGMX_DOUBLE=${GMX_DOUBLE} ${gmx_cmake_opts} && \
   cmake --build gromacs/build && \
   sudo cmake --install gromacs/build; \
 fi

From d35a849aaa364355eb657b769f0c0494534cea93 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Thu, 26 Sep 2024 15:27:40 -0600
Subject: [PATCH 3/4] CI: fix some typos

---
 .github/workflows/continuous-integration-workflow.yml | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/continuous-integration-workflow.yml b/.github/workflows/continuous-integration-workflow.yml
index de3d2b6..4bdc122 100644
--- a/.github/workflows/continuous-integration-workflow.yml
+++ b/.github/workflows/continuous-integration-workflow.yml
@@ -65,10 +65,10 @@ jobs:
       - name: Generate platforms
         id: platforms
         run: |
-          if [ "${{ matrix.config.dockerfile }}::${{ matrix.config.tag }}" = "fedora:latest" ]; then
-            echo "linux/amd64,linux/arm64" >> $GITHUB_OUTPUT
+          if [ "${{ matrix.config.dockerfile }}:${{ matrix.config.tag }}" = "fedora:latest" ]; then
+            echo "platforms=linux/amd64,linux/arm64" >> $GITHUB_OUTPUT
           else
-            echo "linux/amd64" >> $GITHUB_OUTPUT
+            echo "platforms=linux/amd64" >> $GITHUB_OUTPUT
           fi
       - name: Build and Push Docker images for all Container Registries
         uses: docker/build-push-action@v3        
@@ -80,3 +80,4 @@ jobs:
           build-args: ${{ steps.build_args.outputs.args }}
           pull: true
           push: ${{ github.repository_owner == 'votca' && ( github.event_name == 'push' ||  github.event_name == 'schedule' ) }}
+          platforms: ${{ steps.platforms.outputs.platforms }}

From 3360081edfc77ea300b6380210f6590f44152ea9 Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@votca.org>
Date: Thu, 26 Sep 2024 15:33:19 -0600
Subject: [PATCH 4/4] fedora: fix a typo

---
 fedora | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/fedora b/fedora
index 378ab00..0a701ce 100644
--- a/fedora
+++ b/fedora
@@ -57,7 +57,10 @@ RUN if [ -n "${GMX_BRANCH}" ] && [ "${GMX_BRANCH}" != "none" ]; then \
   else \
     curl https://gitlab.com/gromacs/gromacs/-/merge_requests/1524.patch | patch -d gromacs -p 1; \
   fi && \
-  cmake -GNinja -S gromacs -B gromacs/build -DCMAKE_INSTALL_PREFIX=/usr $(if [ "$(uname -m)" = "x86_64"; then echo -DGMX_SIMD=SSE2; fi) -DGMX_DOUBLE=${GMX_DOUBLE} ${gmx_cmake_opts} && \
+  if [ "$(uname -m)" = "x86_64" ]; then \
+    gmx_cmake_opts+=" -DGMX_SIMD=SSE2"; \
+  fi && \
+  cmake -GNinja -S gromacs -B gromacs/build -DCMAKE_INSTALL_PREFIX=/usr -DGMX_DOUBLE=${GMX_DOUBLE} ${gmx_cmake_opts} && \
   cmake --build gromacs/build && \
   sudo cmake --install gromacs/build; \
 fi