SIRIUS: remove old versions (#40105)
This commit is contained in:
Anton Kozhevnikov
GitHub
parent
5ca9fd6c82
commit
170867e38a
4 changed files with 37 additions and 228 deletions
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@ -1,53 +0,0 @@
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From 4b51d07369b5972f3917cc8f2425caa814ae0975 Mon Sep 17 00:00:00 2001
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From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch>
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Date: Thu, 16 May 2019 10:53:04 +0200
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Subject: [PATCH] cmake: fix shared library installation
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fixes the error during `make install`:
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TARGETS given no LIBRARY DESTINATION for shared library target
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when building shared libraries.
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... and respect the current OS/distro library dir.
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---
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src/CMakeLists.txt | 11 +++++++++--
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1 file changed, 9 insertions(+), 2 deletions(-)
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diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
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index 65307dd3..2b7a5279 100644
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--- a/src/CMakeLists.txt
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+++ b/src/CMakeLists.txt
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@@ -2,6 +2,8 @@
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# working correctly
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# list(APPEND CUDA_NVCC_FLAGS "-Xcompiler -fPIC")
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+include(GNUInstallDirs) # required to get a proper LIBDIR variable
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+
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# keep two libraries: libsirius and libsirius_f
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if(USE_CUDA)
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@@ -9,13 +11,18 @@ if(USE_CUDA)
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file(GLOB_RECURSE CUFILES_KERNELS "Kernels/*.cu")
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add_library(sirius_cu "${CUFILES_KERNELS};${CUFILES_SDDK}")
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set_target_properties(sirius_cu PROPERTIES POSITION_INDEPENDENT_CODE ON)
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- INSTALL (TARGETS sirius_cu ARCHIVE DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/)
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+ INSTALL (TARGETS sirius_cu
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+ ARCHIVE DESTINATION "${CMAKE_INSTALL_LIBDIR}"
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+ LIBRARY DESTINATION "${CMAKE_INSTALL_LIBDIR}"
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+ )
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endif()
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if(CREATE_FORTRAN_BINDINGS)
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add_library(sirius_f "sirius_api.cpp;sirius.f90")
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SIRIUS_SETUP_TARGET(sirius_f)
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INSTALL (TARGETS sirius_f ARCHIVE DESTINATION
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- ${CMAKE_INSTALL_PREFIX}/lib/)
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+ ARCHIVE DESTINATION "${CMAKE_INSTALL_LIBDIR}"
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+ LIBRARY DESTINATION "${CMAKE_INSTALL_LIBDIR}"
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+ )
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set_target_properties(sirius_f PROPERTIES POSITION_INDEPENDENT_CODE ON)
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set_target_properties(sirius_f PROPERTIES Fortran_MODULE_DIRECTORY mod_files)
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target_link_libraries(sirius_f PUBLIC OpenMP::OpenMP_CXX)
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--
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2.16.4
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@ -1,25 +0,0 @@
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From 76f238d0ebcfc186f5210b0807b6a83a5c17bd43 Mon Sep 17 00:00:00 2001
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From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch>
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Date: Wed, 24 Apr 2019 15:30:50 +0200
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Subject: [PATCH 2/2] cmake: properly link Fortran lib against used libraries
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---
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src/CMakeLists.txt | 2 +-
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1 file changed, 1 insertion(+), 1 deletion(-)
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diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
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index b927adef..a0d4aeb3 100644
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--- a/src/CMakeLists.txt
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+++ b/src/CMakeLists.txt
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@@ -13,7 +13,7 @@ if(USE_CUDA)
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endif()
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if(CREATE_FORTRAN_BINDINGS)
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add_library(sirius_f "sirius_api.cpp;sirius.f90")
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- add_dependencies(sirius_f generate_version_hpp runtime_options_json_hpp)
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+ SIRIUS_SETUP_TARGET(sirius_f)
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INSTALL (TARGETS sirius_f ARCHIVE DESTINATION
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${CMAKE_INSTALL_PREFIX}/lib/)
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set_target_properties(sirius_f PROPERTIES POSITION_INDEPENDENT_CODE ON)
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--
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2.16.4
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@ -26,13 +26,41 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
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version("7.3.2", sha256="a256508de6b344345c295ad8642dbb260c4753cd87cc3dd192605c33542955d7")
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version("7.3.1", sha256="8bf9848b8ebf0b43797fd359adf8c84f00822de4eb677e3049f22baa72735e98")
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version("7.3.0", sha256="69b5cf356adbe181be6c919032859c4e0160901ff42a885d7e7ea0f38cc772e2")
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version("7.2.7", sha256="929bf7f131a4847624858b9c4295532c24b0c06f6dcef5453c0dfc33fb78eb03")
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version("7.2.6", sha256="e751fd46cdc7c481ab23b0839d3f27fb00b75dc61dc22a650c92fe8e35336e3a")
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version("7.2.5", sha256="794e03d4da91025f77542d3d593d87a8c74e980394f658a0210a4fd91c011f22")
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version("7.2.4", sha256="aeed0e83b80c3a79a9469e7f3fe10d80ad331795e38dbc3c49cb0308e2bd084d")
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version("7.2.3", sha256="6c10f0e87e50fcc7cdb4d1b2d35e91dba6144de8f111e36c7d08912e5942a906")
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version("7.2.1", sha256="01bf6c9893ff471473e13351ca7fdc2ed6c1f4b1bb7afa151909ea7cd6fa0de7")
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version("7.2.0", sha256="537800459db8a7553d7aa251c19f3a31f911930194b068bc5bca2dfb2c9b71db")
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version(
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"7.2.7",
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sha256="929bf7f131a4847624858b9c4295532c24b0c06f6dcef5453c0dfc33fb78eb03",
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deprecated=True,
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)
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version(
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"7.2.6",
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sha256="e751fd46cdc7c481ab23b0839d3f27fb00b75dc61dc22a650c92fe8e35336e3a",
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deprecated=True,
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)
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version(
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"7.2.5",
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sha256="794e03d4da91025f77542d3d593d87a8c74e980394f658a0210a4fd91c011f22",
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deprecated=True,
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)
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version(
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"7.2.4",
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sha256="aeed0e83b80c3a79a9469e7f3fe10d80ad331795e38dbc3c49cb0308e2bd084d",
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deprecated=True,
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)
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version(
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"7.2.3",
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sha256="6c10f0e87e50fcc7cdb4d1b2d35e91dba6144de8f111e36c7d08912e5942a906",
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deprecated=True,
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)
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version(
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"7.2.1",
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sha256="01bf6c9893ff471473e13351ca7fdc2ed6c1f4b1bb7afa151909ea7cd6fa0de7",
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deprecated=True,
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)
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version(
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"7.2.0",
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sha256="537800459db8a7553d7aa251c19f3a31f911930194b068bc5bca2dfb2c9b71db",
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deprecated=True,
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)
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version(
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"7.0.2",
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sha256="ee613607ce3be0b2c3f69b560b2415ce1b0e015179002aa90739430dbfaa0389",
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@ -48,91 +76,6 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
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sha256="da783df11e7b65668e29ba8d55c8a6827e2216ad6d88040f84f42ac20fd1bb99",
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deprecated=True,
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)
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version(
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"6.5.7",
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sha256="d886c3066163c43666ebac2ea50351df03907b5686671e514a75f131ba51b43c",
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deprecated=True,
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)
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version(
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"6.5.6",
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sha256="c8120100bde4477545eae489ea7f9140d264a3f88696ec92728616d78f214cae",
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deprecated=True,
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)
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version(
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"6.5.5",
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sha256="0b23d3a8512682eea67aec57271031c65f465b61853a165015b38f7477651dd1",
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deprecated=True,
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)
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version(
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"6.5.4",
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sha256="5f731926b882a567d117afa5e0ed33291f1db887fce52f371ba51f014209b85d",
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deprecated=True,
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)
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version(
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"6.5.3",
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sha256="eae0c303f332425a8c792d4455dca62557931b28a5df8b4c242652d5ffddd580",
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deprecated=True,
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)
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version(
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"6.5.2",
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sha256="c18adc45b069ebae03f94eeeeed031ee99b3d8171fa6ee73c7c6fb1e42397fe7",
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deprecated=True,
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)
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version(
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"6.5.1",
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sha256="599dd0fa25a4e83db2a359257a125e855d4259188cf5b0065b8e7e66378eacf3",
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deprecated=True,
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)
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version(
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"6.5.0",
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sha256="5544f3abbb71dcd6aa08d18aceaf53c38373de4cbd0c3af44fbb39c20cfeb7cc",
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deprecated=True,
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)
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version(
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"6.4.4",
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sha256="1c5de9565781847658c3cc11edcb404e6e6d1c5a9dfc81e977de7a9a7a162c8a",
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deprecated=True,
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)
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version(
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"6.4.3",
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sha256="4d1effeadb84b3e1efd7d9ac88018ef567aa2e0aa72e1112f0abf2e493e2a189",
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deprecated=True,
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)
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version(
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"6.4.2",
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sha256="40b9b66deebb6538fc0f4cd802554d0d763ea6426b9b2f0e8db8dc617e494479",
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deprecated=True,
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)
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version(
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"6.4.1",
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sha256="86f25c71517952a63e92e0a9bcf66d27e4afb2b0d67cf84af480f116b8e7f53c",
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deprecated=True,
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)
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version(
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"6.4.0",
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sha256="bc61758b71dd2996e2ff515b8c3560b2c69c00931cb2811a163a31bcfea4436e",
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deprecated=True,
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)
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version(
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"6.3.4",
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sha256="8839e988b4bb6ef99b6180f7fba03a5537e31fce51bb3e4c2298b513d6a07e0a",
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deprecated=True,
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)
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version(
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"6.3.3",
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sha256="7ba30a4e5c9a545433251211454ec0d59b74ba8941346057bc7de11e7f6886f7",
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deprecated=True,
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)
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version(
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"6.3.2",
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sha256="1723e5ad338dad9a816369a6957101b2cae7214425406b12e8712c82447a7ee5",
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deprecated=True,
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)
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version(
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"6.1.5",
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sha256="379f0a2e5208fd6d91c2bd4939c3a5c40002975fb97652946fa1bfe4a3ef97cb",
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deprecated=True,
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)
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variant("shared", default=True, description="Build shared libraries")
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variant("openmp", default=True, description="Build with OpenMP support")
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@ -165,6 +108,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
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"profiler", default=True, description="Use internal profiler to measure execution time"
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)
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depends_on("cmake@3.23:", type="build")
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depends_on("mpi")
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depends_on("gsl")
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depends_on("lapack")
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@ -191,7 +135,6 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
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depends_on("magma", when="+magma")
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depends_on("boost cxxstd=14 +filesystem", when="+boost_filesystem")
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depends_on("spfft@0.9.6: +mpi", when="@6.4.0:")
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depends_on("spfft@0.9.13:", when="@7.0.1:")
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depends_on("spfft+single_precision", when="+single_precision ^spfft")
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depends_on("spfft+cuda", when="+cuda ^spfft")
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@ -217,7 +160,6 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
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# FindHIP cmake script only works for < 4.1
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depends_on("hip@:4.0", when="@:7.2.0 +rocm")
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conflicts("+shared", when="@6.3.0:6.4")
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conflicts("+boost_filesystem", when="~apps")
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conflicts("^libxc@5.0.0") # known to produce incorrect results
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conflicts("+single_precision", when="@:7.2.4")
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@ -244,32 +186,8 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage):
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depends_on("umpire+cuda~device_alloc", when="+cuda")
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depends_on("umpire+rocm~device_alloc", when="+rocm")
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patch("strip-spglib-include-subfolder.patch", when="@6.1.5")
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patch("link-libraries-fortran.patch", when="@6.1.5")
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patch("cmake-fix-shared-library-installation.patch", when="@6.1.5")
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patch("mpi_datatypes.patch", when="@:7.2.6")
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@property
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def libs(self):
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libraries = []
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if "@6.3.0:" in self.spec:
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libraries += ["libsirius"]
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return find_libraries(
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libraries, root=self.prefix, shared="+shared" in self.spec, recursive=True
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)
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else:
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if "+fortran" in self.spec:
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libraries += ["libsirius_f"]
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if "+cuda" in self.spec:
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libraries += ["libsirius_cu"]
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return find_libraries(
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libraries, root=self.prefix, shared="+shared" in self.spec, recursive=True
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)
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def cmake_args(self):
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spec = self.spec
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@ -335,14 +253,8 @@ def cmake_args(self):
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if "+cuda" in spec:
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cuda_arch = spec.variants["cuda_arch"].value
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if cuda_arch[0] != "none":
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# Specify a single arch directly
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if "@:6" in spec:
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args.append(
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self.define("CMAKE_CUDA_FLAGS", "-arch=sm_{0}".format(cuda_arch[0]))
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)
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# Make SIRIUS handle it
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elif "@6:7.4.3" in spec:
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if "@6:7.4.3" in spec:
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args.append(self.define("CMAKE_CUDA_ARCH", ";".join(cuda_arch)))
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else:
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args.append(self.define("CMAKE_CUDA_ARCHITECTURES", ";".join(cuda_arch)))
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@ -1,25 +0,0 @@
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From 1a4ae29387790183b3de38acf8d38623429f3f62 Mon Sep 17 00:00:00 2001
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From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch>
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Date: Wed, 24 Apr 2019 11:29:05 +0200
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Subject: [PATCH] spglib does not install to a subfolder by default
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---
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src/Unit_cell/unit_cell_symmetry.hpp | 2 +-
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1 file changed, 1 insertion(+), 1 deletion(-)
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diff --git a/src/Unit_cell/unit_cell_symmetry.hpp b/src/Unit_cell/unit_cell_symmetry.hpp
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index 9852bd4a..2c5a1e04 100644
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--- a/src/Unit_cell/unit_cell_symmetry.hpp
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+++ b/src/Unit_cell/unit_cell_symmetry.hpp
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@@ -26,7 +26,7 @@
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#define __UNIT_CELL_SYMMETRY_HPP__
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extern "C" {
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-#include <spglib/spglib.h>
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+#include <spglib.h>
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}
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#include "geometry3d.hpp"
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--
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2.16.4
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