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science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices
Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version)
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,3 +1,3 @@ | ||
| TIMESTAMP = 1619224742 | ||
| SHA256 (libgridxc-libgridxc-0.9.6.tar.gz) = 3b89ccc02d65729ea2d7cb291ae1d9b53acd65c1fd144e8846362cffb71b114a | ||
| SIZE (libgridxc-libgridxc-0.9.6.tar.gz) = 278448 | ||
| TIMESTAMP = 1672867830 | ||
| SHA256 (libgridxc-1.1.0.tar.gz) = e7883e57a4db2438ee59437740291c06e0cfe1c8ae1901e4001f32312307e46a | ||
| SIZE (libgridxc-1.1.0.tar.gz) = 357558 |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,19 @@ | ||
| --- CMakeLists.txt.orig 2023-01-04 21:32:59 UTC | ||
| +++ CMakeLists.txt | ||
| @@ -128,11 +128,11 @@ install( | ||
| DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}/${module-dir}" | ||
| ) | ||
| # Package license files | ||
| -install( | ||
| - FILES | ||
| - "COPYING" | ||
| - DESTINATION "${CMAKE_INSTALL_DATADIR}/licenses/${PROJECT_NAME}" | ||
| -) | ||
| +#install( | ||
| +# FILES | ||
| +# "COPYING" | ||
| +# DESTINATION "${CMAKE_INSTALL_DATADIR}/licenses/${PROJECT_NAME}" | ||
| +#) | ||
|
|
||
| add_subdirectory("docs") | ||
|
|
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,11 @@ | ||
| --- config/CMakeLists.txt.orig 2023-01-04 21:36:32 UTC | ||
| +++ config/CMakeLists.txt | ||
| @@ -10,7 +10,7 @@ endif() | ||
|
|
||
| set( | ||
| module-dir | ||
| - "${PROJECT_NAME}/${CMAKE_Fortran_COMPILER_ID}-${CMAKE_Fortran_COMPILER_VERSION}" | ||
| + "${PROJECT_NAME}" | ||
| ) | ||
| set(module-dir "${module-dir}" PARENT_SCOPE) | ||
|
|
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,16 +1,42 @@ | ||
| include/gridxc/debugxc.mod | ||
| include/gridxc/gridxc.mod | ||
| include/gridxc/gridxc_config.mod | ||
| include/gridxc/gridxc_fft_gpfa.mod | ||
| include/gridxc/m_atomxc.mod | ||
| include/gridxc/m_cellxc.mod | ||
| include/gridxc/m_ggaxc.mod | ||
| include/gridxc/m_ldaxc.mod | ||
| include/gridxc/mesh3d.mod | ||
| include/gridxc/xcmod.mod | ||
| lib/libgridxc.a | ||
| include/libgridxc/gridxc.mod | ||
| include/libgridxc/gridxc_alloc.mod | ||
| include/libgridxc/gridxc_am05.mod | ||
| include/libgridxc/gridxc_array.mod | ||
| include/libgridxc/gridxc_atom.mod | ||
| include/libgridxc/gridxc_bessph.mod | ||
| include/libgridxc/gridxc_cell.mod | ||
| include/libgridxc/gridxc_cellsubs.mod | ||
| include/libgridxc/gridxc_chkgmx.mod | ||
| include/libgridxc/gridxc_config.mod | ||
| include/libgridxc/gridxc_debugxc.mod | ||
| include/libgridxc/gridxc_fft3d.mod | ||
| include/libgridxc/gridxc_fft_gpfa.mod | ||
| include/libgridxc/gridxc_fftr.mod | ||
| include/libgridxc/gridxc_gga.mod | ||
| include/libgridxc/gridxc_gpfa_core_dp.mod | ||
| include/libgridxc/gridxc_gpfa_core_sp.mod | ||
| include/libgridxc/gridxc_hybrids.mod | ||
| include/libgridxc/gridxc_interpolation.mod | ||
| include/libgridxc/gridxc_io.mod | ||
| include/libgridxc/gridxc_lda.mod | ||
| include/libgridxc/gridxc_mesh1d.mod | ||
| include/libgridxc/gridxc_mesh3d.mod | ||
| include/libgridxc/gridxc_minvec.mod | ||
| include/libgridxc/gridxc_moreparallelsubs.mod | ||
| include/libgridxc/gridxc_precision.mod | ||
| include/libgridxc/gridxc_radfft.mod | ||
| include/libgridxc/gridxc_sorting.mod | ||
| include/libgridxc/gridxc_sys.mod | ||
| include/libgridxc/gridxc_vdwxc.mod | ||
| include/libgridxc/gridxc_vv_vdwxc.mod | ||
| include/libgridxc/gridxc_walltime.mod | ||
| include/libgridxc/gridxc_xcmod.mod | ||
| include/libgridxc/gridxc_xwpbe.mod | ||
| lib/cmake/libgridxc/libgridxc-config-version.cmake | ||
| lib/cmake/libgridxc/libgridxc-config.cmake | ||
| lib/cmake/libgridxc/libgridxc-targets-%%CMAKE_BUILD_TYPE%%.cmake | ||
| lib/cmake/libgridxc/libgridxc-targets.cmake | ||
| lib/libgridxc.so | ||
| lib/libgridxc.so.0 | ||
| lib/libgridxc.so.0.0.0 | ||
| lib/libgridxc.so.1 | ||
| lib/libgridxc.so.1.1.0 | ||
| libdata/pkgconfig/libgridxc.pc | ||
| share/org.siesta-project/gridxc.mk |