recent version, or a different compiler. If you don't want to use OpenMP, disable it explicitly with -DGMX_OPENMP=OFF Call Stack (most recent call first): CMakeLists.txt:421 (include) -- Configuring incomplete, errors occurred! * ERROR: sci-chemistry/gromacs-2024.1::gentoo failed (configure phase): * cmake failed ------------------------------------------------------------------- This is an unstable amd64 chroot image at a tinderbox (==build bot) name: 23.0_no_multilib-20240326-055045 ------------------------------------------------------------------- gcc-config -l: [1] x86_64-pc-linux-gnu-13 * clang/llvm (if any): clang version 18.1.2 Target: x86_64-pc-linux-gnu Thread model: posix InstalledDir: /usr/lib/llvm/18/bin Configuration file: /etc/clang/x86_64-pc-linux-gnu-clang.cfg /usr/lib/llvm/18 18.1.2 Python 3.11.8 Available Ruby profiles: [1] ruby31 (with Rubygems) [2] ruby33 (with Rubygems) * Available Rust versions: [1] rust-bin-1.76.0 * The following VMs are available for generation-2: 1) Eclipse Temurin JDK 17.0.10_p7 [openjdk-bin-17] 2) Eclipse Temurin JDK 21.0.2_p13 [openjdk-bin-21] *) Eclipse Temurin JDK 8.402_p06 [openjdk-bin-8] Available Java Virtual Machines: [1] openjdk-bin-8 system-vm [2] openjdk-bin-17 [3] openjdk-bin-21 The Glorious Glasgow Haskell Compilation System, version 9.2.8 php cli (if any): go version go1.22.1 linux/amd64 HEAD of ::gentoo commit 36587f042696bafc13b131d69ef5e527e91335a8 Author: Repository mirror & CI <repomirrorci@gentoo.org> Date: Wed Mar 27 18:04:11 2024 +0000 2024-03-27 18:04:10 UTC emerge -qpvO sci-chemistry/gromacs [ebuild N ] sci-chemistry/gromacs-2024.1 USE="clang custom-cflags doc fftw gmxapi gmxapi-legacy hwloc openmp single-precision threads tng -blas -build-manual -clang-cuda -cuda -double-precision -lapack -mkl -mpi -offensive -opencl (-python) -test" CPU_FLAGS_X86="avx avx2 sse2 sse4_1 -avx512f -fma4" PYTHON_SINGLE_TARGET="python3_11 -python3_10 -python3_12"
Created attachment 888836 [details] emerge-info.txt
Created attachment 888837 [details] emerge-history.txt
Created attachment 888838 [details] environment
Created attachment 888839 [details] etc.clang.tar.xz
Created attachment 888840 [details] etc.portage.tar.xz
Created attachment 888841 [details] qlist-info.txt
Created attachment 888842 [details] sci-chemistry:gromacs-2024.1:20240327-182807.log
Created attachment 888843 [details] temp.tar.xz
The bug has been closed via the following commit(s): https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=31a956f026856b8b22a993b4abe07fbd89176477 commit 31a956f026856b8b22a993b4abe07fbd89176477 Author: Alexey Shvetsov <alexxy@gentoo.org> AuthorDate: 2024-10-19 18:43:03 +0000 Commit: Alexey Shvetsov <alexxy@gentoo.org> CommitDate: 2024-10-19 18:43:45 +0000 sci-chemistry/gromacs: Correct depend when openmp is enabled Closes: https://bugs.gentoo.org/927990 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> sci-chemistry/gromacs/gromacs-2020.7-r1.ebuild | 4 ++++ sci-chemistry/gromacs/gromacs-2021.7-r1.ebuild | 4 ++++ sci-chemistry/gromacs/gromacs-2022.6.ebuild | 4 ++++ sci-chemistry/gromacs/gromacs-2023.5.ebuild | 4 ++++ sci-chemistry/gromacs/gromacs-2023.9999.ebuild | 4 ++++ sci-chemistry/gromacs/gromacs-2024.3.ebuild | 4 ++++ sci-chemistry/gromacs/gromacs-2024.9999.ebuild | 4 ++++ sci-chemistry/gromacs/gromacs-9999.ebuild | 4 ++++ 8 files changed, 32 insertions(+)
in the newly added openmp dependency, clang-runtime should be guarded by clang USE flag: openmp? ( sys-devel/gcc[openmp] clang? ( sys-devel/clang-runtime[openmp] ) ) came across this as gromacs suddenly wanted to pull in llvm / clang though i do not use them...
