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

[Alexey Shvetsov]

commit:     cbb7396a1cbb8b9c2eff34211d0398550d92b5a4
Author:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Sun Oct 20 12:15:04 2024 +0000
Commit:     Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Sun Oct 20 12:15:30 2024 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=cbb7396a

sci-chemistry/gromacs: Sync patch with upstreamed one

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

 sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patch | 2 +-
 sci-chemistry/gromacs/gromacs-9999.ebuild                           | 3 ++-
 2 files changed, 3 insertions(+), 2 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
index f4f3698d96db..3a42ba4000ed 100644
--- a/sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patch
+++ b/sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patch
@@ -31,7 +31,7 @@ index 509d56e116..f49c820fa0 100644
          endif()
          if(GMX_TORCH)
 -            target_compile_options(colvars_objlib PRIVATE ${CMAKE_CXX_FLAGS} 
${TORCH_CXX_FLAGS})
-+            target_compile_options(colvars_objlib PRIVATE ${CMAKE_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()

diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild 
b/sci-chemistry/gromacs/gromacs-9999.ebuild
index 9f4ae599f86b..9de42117f102 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -241,6 +241,7 @@ src_configure() {
                -DGMX_USE_HDF5=$(usex hdf5)
                -DGMX_HWLOC=$(usex hwloc)
                -DGMX_DEFAULT_SUFFIX=off
+               -DGMX_BUILD_HELP=on
                -DGMX_SIMD="$acce"
                -DGMX_NNPOT="$nnpot"
                
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
@@ -337,7 +338,7 @@ src_install() {
                cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || 
die
                newbashcomp "${T}"/"${n}" "${n}"
        done
-       #rm "${ED}"/usr/bin/gmx-completion*.bash || die
+       rm "${ED}"/usr/bin/gmx-completion*.bash || die
        readme.gentoo_create_doc
 }