diff --git a/cmake/cmake_cp2k.sh b/cmake/cmake_cp2k.sh index 0dfd219a3f..045503ac35 100644 --- a/cmake/cmake_cp2k.sh +++ b/cmake/cmake_cp2k.sh @@ -140,6 +140,7 @@ elif [[ "${PROFILE}" == "toolchain_arm64" ]] && [[ "${VERSION}" == "psmp" ]]; th -DCP2K_USE_ACE=OFF \ -DCP2K_USE_DEEPMD=OFF \ -DCP2K_USE_LIBTORCH=OFF \ + -DCP2K_USE_GAUXC=OFF \ -Werror=dev \ .. |& tee ./cmake.log CMAKE_EXIT_CODE=$? diff --git a/tools/docker/Dockerfile.test_arm64-psmp b/tools/docker/Dockerfile.test_arm64-psmp index cd17aa517c..336eda0651 100644 --- a/tools/docker/Dockerfile.test_arm64-psmp +++ b/tools/docker/Dockerfile.test_arm64-psmp @@ -27,6 +27,7 @@ RUN ./install_cp2k_toolchain.sh \ --with-gcc=system \ --with-libtorch=no \ --with-deepmd=no \ + --with-gauxc=no \ --dry-run # Dry-run leaves behind config files for the followup install scripts. diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py index b93734090e..2e48a0a978 100755 --- a/tools/docker/generate_dockerfiles.py +++ b/tools/docker/generate_dockerfiles.py @@ -252,7 +252,8 @@ def main() -> None: with OutputFile("Dockerfile.test_arm64-psmp", args.check) as f: base_img = "arm64v8/ubuntu:26.04" - f.write(install_deps_toolchain(base_img, with_libtorch="no", with_deepmd="no")) + libs = dict(with_libtorch="no", with_deepmd="no", with_gauxc="no") + f.write(install_deps_toolchain(base_img, **libs)) f.write(regtest("toolchain_arm64", "psmp")) with OutputFile(f"Dockerfile.test_performance", args.check) as f: