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| author |   Alexey Shvetsov <alexxy@gentoo.org> | 2024-10-20 15:15:04 +0300 |
|---|---|---|
| committer | Alexey Shvetsov <alexxy@gentoo.org> | 2024-10-20 15:15:30 +0300 |
| commit | cbb7396a1cbb8b9c2eff34211d0398550d92b5a4 (patch) | |
| tree | 7d522284f1002df1d157f0a964be87595440985c /sci-chemistry | |
| parent | sci-libs/kissfft: allow parallel installation of multiple datatypes (diff) | |
| download | gentoo-cbb7396a1cbb8b9c2eff34211d0398550d92b5a4.tar.gz gentoo-cbb7396a1cbb8b9c2eff34211d0398550d92b5a4.tar.bz2 gentoo-cbb7396a1cbb8b9c2eff34211d0398550d92b5a4.zip | |
sci-chemistry/gromacs: Sync patch with upstreamed one
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/gromacs/files/gromacs-9999-Fix-build-with-torch.patch | 2 | ||||
| -rw-r--r-- | 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 } |