From 35f4375abe5556dc4d72bcfefbb9989faad7fd31 Mon Sep 17 00:00:00 2001 From: Rocco Meli Date: Fri, 31 Jan 2025 13:21:26 +0100 Subject: [PATCH] enable libsmeagol in Spack build --- tools/docker/Dockerfile.test_spack | 2 +- tools/docker/generate_dockerfiles.py | 2 +- tools/docker/scripts/build_cp2k_cmake.sh | 2 +- tools/spack/cp2k-dependencies.yaml | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/tools/docker/Dockerfile.test_spack b/tools/docker/Dockerfile.test_spack index 09a45d3600..f1563b0b87 100644 --- a/tools/docker/Dockerfile.test_spack +++ b/tools/docker/Dockerfile.test_spack @@ -42,7 +42,7 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \ # Install a recent developer version of Spack. WORKDIR /opt/spack -ARG SPACK_VERSION=0f54995e53d48095a30f1d0203e4f9bdb95e29fa +ARG SPACK_VERSION=7ebabfcf0ec31ba2a0470d0405bf7ae84a446c00 RUN git init --quiet && \ git remote add origin https://github.com/spack/spack.git && \ git fetch --quiet --depth 1 origin ${SPACK_VERSION} --no-tags && \ diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py index dfac095a0c..7065319efd 100755 --- a/tools/docker/generate_dockerfiles.py +++ b/tools/docker/generate_dockerfiles.py @@ -853,7 +853,7 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \ # Install a recent developer version of Spack. WORKDIR /opt/spack -ARG SPACK_VERSION=0f54995e53d48095a30f1d0203e4f9bdb95e29fa +ARG SPACK_VERSION=7ebabfcf0ec31ba2a0470d0405bf7ae84a446c00 RUN git init --quiet && \ git remote add origin https://github.com/spack/spack.git && \ git fetch --quiet --depth 1 origin ${{SPACK_VERSION}} --no-tags && \ diff --git a/tools/docker/scripts/build_cp2k_cmake.sh b/tools/docker/scripts/build_cp2k_cmake.sh index ef4bc8f50f..9d5095de51 100755 --- a/tools/docker/scripts/build_cp2k_cmake.sh +++ b/tools/docker/scripts/build_cp2k_cmake.sh @@ -85,7 +85,7 @@ if [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "psmp" ]]; then -DCP2K_USE_LIBTORCH=OFF \ -DCP2K_USE_DLAF=ON \ -DCP2K_USE_DFTD4=ON \ - -DCP2K_USE_LIBSMEAGOL=OFF \ + -DCP2K_USE_LIBSMEAGOL=ON \ .. |& tee ./cmake.log CMAKE_EXIT_CODE=$? diff --git a/tools/spack/cp2k-dependencies.yaml b/tools/spack/cp2k-dependencies.yaml index c3c9b30835..755976a95f 100644 --- a/tools/spack/cp2k-dependencies.yaml +++ b/tools/spack/cp2k-dependencies.yaml @@ -19,7 +19,7 @@ spack: - "libvori@220621" - "spla@1.6.1 +fortran" - "dftd4@3.6.0 build_system=cmake" - # - "libsmeagol@1.2" + - "libsmeagol@1.2" # Unfortunately, ScaLAPACK 2.2.1 has not yet been packaged by Spack. # https://github.com/Reference-ScaLAPACK/scalapack/tree/v2.2.1 # which contains https://github.com/Reference-ScaLAPACK/scalapack/pull/26