From 47e5eb7857f126c8e39b5e5badfaaa1d8b009b19 Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Wed, 2 Apr 2025 11:40:59 +0200 Subject: [PATCH] Use Spack fork for the time being The spack develop branch has been quite volatile recently and required changes for the CP2K CI build are still in the pipeline. The dust will hopefully settle once Spack v1.0 is released. --- ci/docker/build_deps_spack_psmp.Dockerfile | 4 ++-- tools/docker/Dockerfile.test_spack | 4 ++-- tools/docker/generate_dockerfiles.py | 4 ++-- tools/spack/cp2k_deps_all.yaml | 5 +++-- tools/spack/cp2k_deps_minimal.yaml | 2 +- 5 files changed, 10 insertions(+), 9 deletions(-) diff --git a/ci/docker/build_deps_spack_psmp.Dockerfile b/ci/docker/build_deps_spack_psmp.Dockerfile index 329b1a6e52..2ee8d967b6 100644 --- a/ci/docker/build_deps_spack_psmp.Dockerfile +++ b/ci/docker/build_deps_spack_psmp.Dockerfile @@ -47,9 +47,9 @@ ENV NUM_PROCS=${NUM_PROCS:-32} # Install a recent Spack version WORKDIR /root/spack ARG SPACK_VERSION -ENV SPACK_VERSION=${SPACK_VERSION:-a3abc1c492f2431f477a63bbccb48aa3a2d34199} +ENV SPACK_VERSION=${SPACK_VERSION:-test_cp2k} RUN git init --quiet && \ - git remote add origin https://github.com/spack/spack.git && \ + git remote add origin https://github.com/mkrack/spack.git && \ git fetch --quiet --depth 1 origin ${SPACK_VERSION} --no-tags && \ git checkout --quiet FETCH_HEAD ENV PATH="/root/spack/bin:${PATH}" diff --git a/tools/docker/Dockerfile.test_spack b/tools/docker/Dockerfile.test_spack index 344cde6f69..6aa3cf7aab 100644 --- a/tools/docker/Dockerfile.test_spack +++ b/tools/docker/Dockerfile.test_spack @@ -37,9 +37,9 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \ # Install a recent Spack version WORKDIR /root/spack ARG SPACK_VERSION -ENV SPACK_VERSION=${SPACK_VERSION:-a3abc1c492f2431f477a63bbccb48aa3a2d34199} +ENV SPACK_VERSION=${SPACK_VERSION:-test_cp2k} RUN git init --quiet && \ - git remote add origin https://github.com/spack/spack.git && \ + git remote add origin https://github.com/mkrack/spack.git && \ git fetch --quiet --depth 1 origin ${SPACK_VERSION} --no-tags && \ git checkout --quiet FETCH_HEAD ENV PATH="/root/spack/bin:${PATH}" diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py index 12875359b1..c41a9abc6c 100755 --- a/tools/docker/generate_dockerfiles.py +++ b/tools/docker/generate_dockerfiles.py @@ -863,9 +863,9 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \ # Install a recent Spack version WORKDIR /root/spack ARG SPACK_VERSION -ENV SPACK_VERSION=${{SPACK_VERSION:-a3abc1c492f2431f477a63bbccb48aa3a2d34199}} +ENV SPACK_VERSION=${{SPACK_VERSION:-test_cp2k}} RUN git init --quiet && \ - git remote add origin https://github.com/spack/spack.git && \ + git remote add origin https://github.com/mkrack/spack.git && \ git fetch --quiet --depth 1 origin ${{SPACK_VERSION}} --no-tags && \ git checkout --quiet FETCH_HEAD ENV PATH="/root/spack/bin:${{PATH}}" diff --git a/tools/spack/cp2k_deps_all.yaml b/tools/spack/cp2k_deps_all.yaml index e10bc876a0..51c1ad85a7 100644 --- a/tools/spack/cp2k_deps_all.yaml +++ b/tools/spack/cp2k_deps_all.yaml @@ -87,7 +87,8 @@ spack: - "mpich@4.2.3" - "openblas@0.3.29" - "netlib-scalapack@2.2.2" - - "cosma@2.6.6" +# - "cosma@2.6.6" Use master until a new release will be available + - "cosma@master" - "dbcsr@2.8.0" - "dftd4@3.6.0" - "dla-future@0.8.0" @@ -99,7 +100,7 @@ spack: - "libsmeagol@1.2" - "libvori@220621" - "libxc@7.0.0" - - "libxsmm@1.17" + - "libxsmm@main-2024-09" - "plumed@2.9.2" - "py-torch@2.6" - "sirius@7.6.1" diff --git a/tools/spack/cp2k_deps_minimal.yaml b/tools/spack/cp2k_deps_minimal.yaml index b1310fbf0b..0728af66e7 100644 --- a/tools/spack/cp2k_deps_minimal.yaml +++ b/tools/spack/cp2k_deps_minimal.yaml @@ -49,7 +49,7 @@ spack: - "dbcsr@2.8.0" - "fftw@3.3.10" - "libxc@7.0.0" - - "libxsmm@1.17" + - "libxsmm@main-2024-09" view: default: root: ./spack-env/view