[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/gromacs/files/, sci-chemistry/gromacs/

["Alexey Shvetsov" <alexxy@gentoo.org>]

commit:     2aa68c469487247f00d2d76f56c6e41cd45d2ace
Author:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Fri Oct 25 11:07:42 2024 +0000
Commit:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Fri Oct 25 11:07:42 2024 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2aa68c46

sci-chemistry/gromacs: drop upstreamed patch

Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org>

 .../files/gromacs-9999-Fix-build-with-torch.patch  | 40 ----------------------
 sci-chemistry/gromacs/gromacs-9999.ebuild          |  2 --
 2 files changed, 42 deletions(-)

diff --git a/sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patch b/sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patch
deleted file mode 100644
index 3a42ba4000ed..000000000000
--- a/sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patch
+++ /dev/null
@@ -1,40 +0,0 @@
-From d997978fc0c644784ed929b0c48e153d5c1f1408 Mon Sep 17 00:00:00 2001
-From: Alexey Shvetsov <alexxyum@gmail.com>
-Date: Sat, 19 Oct 2024 21:22:07 +0300
-Subject: [PATCH] Fix build with torch if non default C{XX}_FLAGS set
-MIME-Version: 1.0
-Content-Type: text/plain; charset=UTF-8
-Content-Transfer-Encoding: 8bit
-
-This should fix build colvars with torch if torch was built with non
-default C{,XX}_FLAGS
-
-Erorr info:
-
-FAILED: src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o
-/usr/bin/x86_64-pc-linux-gnu-g++ -DCOLVARS_TORCH -DGMX_DOUBLE=0 -I/usr/include/torch/csrc/api/include  -O2 -pipe -march=skylake -mtune=skylake -std=c++17 -fPIC "-O2 -pipe -march=skylake -mtune=skylake" -D_GLIBCXX_USE_CXX11_ABI=1 -fopenmp -MD -MT src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -MF src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o.d -o src/gromacs/CMakeFiles/colvars_objlib.dir/__/external/colvars/colvar.cpp.o -c /var/tmp/portage/sci-chemistry/gromacs-9999/work/gromacs-9999/src/external/colvars/colvar.cpp
-cc1plus: error: argument to ‘-O’ should be a non-negative integer, ‘g’, ‘s’, ‘z’ or ‘fast’
-
-This caused by doubling quoted C{,XX}_FLAGS
-
-Signed-off-by: Alexey Shvetsov <alexxyum@gmail.com>
----
- cmake/gmxManageColvars.cmake | 2 +-
- 1 file changed, 1 insertion(+), 1 deletion(-)
-
-diff --git a/cmake/gmxManageColvars.cmake b/cmake/gmxManageColvars.cmake
-index 509d56e116..f49c820fa0 100644
---- a/cmake/gmxManageColvars.cmake
-+++ b/cmake/gmxManageColvars.cmake
-@@ -52,7 +52,7 @@ function(gmx_manage_colvars)
-             target_link_libraries(colvars_objlib PRIVATE OpenMP::OpenMP_CXX)
-         endif()
-         if(GMX_TORCH)
--            target_compile_options(colvars_objlib PRIVATE ${CMAKE_CXX_FLAGS} ${TORCH_CXX_FLAGS})
-+            target_compile_options(colvars_objlib PRIVATE ${TORCH_CXX_FLAGS})
-             target_include_directories(colvars_objlib PRIVATE ${TORCH_INCLUDE_DIRS})
-             target_compile_definitions(colvars_objlib PRIVATE -DCOLVARS_TORCH)
-         endif()
--- 
-2.47.0
-

diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
index 9de42117f102..a05143862722 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -94,8 +94,6 @@ DOCS=( AUTHORS README )
 
 RESTRICT="!test? ( test )"
 
-PATCHES=( "${FILESDIR}/${P}-Fix-build-with-torch.patch" )
-
 if [[ ${PV} != *9999 ]]; then
 	S="${WORKDIR}/${PN}-${PV/_/-}"
 fi