From bd6eff519833bbcdab2fb67fb7ab40a7aecdfaf4 Mon Sep 17 00:00:00 2001 From: Mihail Anton Date: Sat, 19 Oct 2024 14:07:46 +0100 Subject: [PATCH 1/3] feat: multiarch imageu --- src/dlkcat-gecko/Dockerfile | 5 +++-- src/dlkcat-gecko/requirements.txt | 1 - 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/dlkcat-gecko/Dockerfile b/src/dlkcat-gecko/Dockerfile index af0340544..fd240ebb6 100644 --- a/src/dlkcat-gecko/Dockerfile +++ b/src/dlkcat-gecko/Dockerfile @@ -1,8 +1,9 @@ FROM python:3.9-slim LABEL org.opencontainers.image.source=https://github.com/sysbiochalmers/gecko -LABEL version="0.1" +LABEL version="0.1-multiarch" LABEL description="Docker image of SysBioChalmers/DKLcat adapted for SysBioChalmers/GECKO version 3" COPY . . -RUN pip install --no-cache-dir -r requirements.txt torch@https://download.pytorch.org/whl/cpu/torch-1.9.1%2Bcpu-cp39-cp39-linux_x86_64.whl \ No newline at end of file +RUN pip install --no-cache-dir -r requirements.txt +RUN pip install torch>=1.8.0+cpu --index-url https://download.pytorch.org/whl/cpu \ No newline at end of file diff --git a/src/dlkcat-gecko/requirements.txt b/src/dlkcat-gecko/requirements.txt index 074c9e7ec..eaf30daaf 100644 --- a/src/dlkcat-gecko/requirements.txt +++ b/src/dlkcat-gecko/requirements.txt @@ -1,4 +1,3 @@ -torch>=1.8.0 scikit-learn>=0.23.2 Biopython==1.78 rdkit-pypi From 956f5f8b81c32379e21d28096f9e4161a3f5b8b6 Mon Sep 17 00:00:00 2001 From: Mihail Anton Date: Sat, 19 Oct 2024 17:29:52 +0100 Subject: [PATCH 2/3] feat: sharing docker buildx command --- src/dlkcat-gecko/README.md | 5 +++++ 1 file changed, 5 insertions(+) create mode 100644 src/dlkcat-gecko/README.md diff --git a/src/dlkcat-gecko/README.md b/src/dlkcat-gecko/README.md new file mode 100644 index 000000000..61687fa6a --- /dev/null +++ b/src/dlkcat-gecko/README.md @@ -0,0 +1,5 @@ +Use this command to obtain the multiarch image: + +``` +docker buildx build --platform linux/amd64,linux/arm64/v8 --output type=image,name=ghcr.io/sysbiochalmers/dlkcat-gecko,push=true -t ghcr.io/sysbiochalmers/dlkcat-gecko:0.1-multiarch . +``` From 644148cb16705bdda01acfeab51e04bafbd48500 Mon Sep 17 00:00:00 2001 From: Mihail Anton Date: Sun, 20 Oct 2024 00:09:20 +0100 Subject: [PATCH 3/3] fix: selecting a numpy version compatible with windows co-authored-by: Eduard Kerkhoven --- src/dlkcat-gecko/requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/dlkcat-gecko/requirements.txt b/src/dlkcat-gecko/requirements.txt index eaf30daaf..612f21743 100644 --- a/src/dlkcat-gecko/requirements.txt +++ b/src/dlkcat-gecko/requirements.txt @@ -3,4 +3,4 @@ Biopython==1.78 rdkit-pypi pandas SciPy -NumPy \ No newline at end of file +NumPy<2 \ No newline at end of file