Bug 873166 – sci-chemistry/gromacs-2022.3 - CMake Error at cmake/gmxManageOpenCL.cmake:42 (message):

• Product: Gentoo Linux
• Status: RESOLVED FIXED

[Description Toralf Förster 2022-09-27 11:23:43 UTC]

-- Performing Test _callconv___regcall - Failed
-- Performing Test _callconv_ 
-- Performing Test _callconv_  - Success
-- GPU support with OpenCL is deprecated. It is still fully supported (and recommended for AMD and Intel GPUs). It may be replaced by different approaches in future releases of GROMACS.
CMake Error at cmake/gmxManageOpenCL.cmake:42 (message):
  OpenCL acceleration is not available in double precision
Call Stack (most recent call first):

  -------------------------------------------------------------------

  This is an unstable amd64 chroot image at a tinderbox (==build bot)
  name: 17.1_desktop_gnome_systemd-j4-20220925-124325

  -------------------------------------------------------------------

gcc-config -l:
 [1] x86_64-pc-linux-gnu-12.2.0 *
clang/llvm (if any):
clang version 15.0.1
Target: x86_64-pc-linux-gnu
Thread model: posix
InstalledDir: /usr/lib/llvm/15/bin
/usr/lib/llvm/15
15.0.1
Python 3.10.7
Available Ruby profiles:
  [1]   ruby27 (with Rubygems)
  [2]   ruby30 (with Rubygems) *
Available Rust versions:
  [1]   rust-bin-1.64.0 *
The following VMs are available for generation-2:
1)	OpenJDK 17.0.5_p5 [openjdk-17]
*)	Eclipse Temurin JDK 17.0.4.1_p1 [openjdk-bin-17]
3)	Eclipse Temurin JDK 8.345_p01 [openjdk-bin-8]
Available Java Virtual Machines:
  [1]   openjdk-17 
  [2]   openjdk-bin-8 
  [3]   openjdk-bin-17  system-vm

The Glorious Glasgow Haskell Compilation System, version 9.0.2
php cli (if any):
GNU Make 4.3

  HEAD of ::gentoo
commit cf03b25c7f4a6b752231f3e3bb0134de93118bac
Author: Repository mirror & CI <[e-mail]>
Date:   Tue Sep 27 09:01:52 2022 +0000

    2022-09-27 09:01:52 UTC

emerge -qpvO sci-chemistry/gromacs
[ebuild  N    ] sci-chemistry/gromacs-2022.3  USE="custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc offensive opencl openmp threads tng -blas -build-manual -clang -clang-cuda (-cuda) -lapack -mkl -mpi (-python) -single-precision -test" CPU_FLAGS_X86="avx avx2 sse2 sse4_1 -avx512f -fma4" PYTHON_SINGLE_TARGET="python3_10 -python3_8 -python3_9 -python3_11"

[Comment 1 Toralf Förster 2022-09-27 11:23:44 UTC]

Created attachment 814348 [details]
emerge-info.txt

[Comment 2 Toralf Förster 2022-09-27 11:23:45 UTC]

Created attachment 814351 [details]
CMakeError.log

[Comment 3 Toralf Förster 2022-09-27 11:23:46 UTC]

Created attachment 814354 [details]
CMakeOutput.log

[Comment 4 Toralf Förster 2022-09-27 11:23:48 UTC]

Created attachment 814357 [details]
emerge-history.txt

[Comment 5 Toralf Förster 2022-09-27 11:23:50 UTC]

Created attachment 814360 [details]
environment

[Comment 6 Toralf Förster 2022-09-27 11:23:51 UTC]

Created attachment 814363 [details]
etc.portage.tar.bz2

[Comment 7 Toralf Förster 2022-09-27 11:23:52 UTC]

Created attachment 814366 [details]
logs.tar.bz2

[Comment 8 Toralf Förster 2022-09-27 11:23:53 UTC]

Created attachment 814369 [details]
sci-chemistry:gromacs-2022.3:20220927-100458.log

[Comment 9 Toralf Förster 2022-09-27 11:23:54 UTC]

Created attachment 814372 [details]
temp.tar.bz2

[Comment 10 Larry the Git Cow 2022-12-20 21:16:25 UTC]

The bug has been closed via the following commit(s):

https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ade65a5307e693745065ae30af5eb4b90c4dbf06

commit ade65a5307e693745065ae30af5eb4b90c4dbf06
Author:     Alexey Shvetsov <[e-mail]>
AuthorDate: 2022-12-20 21:15:19 +0000
Commit:     Alexey Shvetsov <[e-mail]>
CommitDate: 2022-12-20 21:16:20 +0000

    sci-chemistry/gromacs: Refuse to build with double + opencl enabled
    
    Closes: https://bugs.gentoo.org/873166
    
    Signed-off-by: Alexey Shvetsov <[e-mail]>

 sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild | 1 +
 sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild | 1 +
 sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild | 1 +
 sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild | 1 +
 sci-chemistry/gromacs/gromacs-2020.7.ebuild    | 1 +
 sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild | 1 +
 sci-chemistry/gromacs/gromacs-2021.5.ebuild    | 1 +
 sci-chemistry/gromacs/gromacs-2021.6.ebuild    | 1 +
 sci-chemistry/gromacs/gromacs-2021.9999.ebuild | 1 +
 sci-chemistry/gromacs/gromacs-2022.3.ebuild    | 1 +
 sci-chemistry/gromacs/gromacs-2022.4.ebuild    | 1 +
 sci-chemistry/gromacs/gromacs-2022.9999.ebuild | 1 +
 sci-chemistry/gromacs/gromacs-2023.9999.ebuild | 1 +
 sci-chemistry/gromacs/gromacs-2023_rc1.ebuild  | 1 +
 sci-chemistry/gromacs/gromacs-9999.ebuild      | 1 +
 15 files changed, 15 insertions(+)