diff options
4 files changed, 22 insertions, 213 deletions
diff --git a/var/spack/repos/builtin/packages/sirius/cmake-fix-shared-library-installation.patch b/var/spack/repos/builtin/packages/sirius/cmake-fix-shared-library-installation.patch deleted file mode 100644 index bffa67e5da..0000000000 --- a/var/spack/repos/builtin/packages/sirius/cmake-fix-shared-library-installation.patch +++ /dev/null @@ -1,53 +0,0 @@ -From 4b51d07369b5972f3917cc8f2425caa814ae0975 Mon Sep 17 00:00:00 2001 -From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch> -Date: Thu, 16 May 2019 10:53:04 +0200 -Subject: [PATCH] cmake: fix shared library installation - -fixes the error during `make install`: - - TARGETS given no LIBRARY DESTINATION for shared library target - -when building shared libraries. - -... and respect the current OS/distro library dir. ---- - src/CMakeLists.txt | 11 +++++++++-- - 1 file changed, 9 insertions(+), 2 deletions(-) - -diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt -index 65307dd3..2b7a5279 100644 ---- a/src/CMakeLists.txt -+++ b/src/CMakeLists.txt -@@ -2,6 +2,8 @@ - # working correctly - # list(APPEND CUDA_NVCC_FLAGS "-Xcompiler -fPIC") - -+include(GNUInstallDirs) # required to get a proper LIBDIR variable -+ - # keep two libraries: libsirius and libsirius_f - - if(USE_CUDA) -@@ -9,13 +11,18 @@ if(USE_CUDA) - file(GLOB_RECURSE CUFILES_KERNELS "Kernels/*.cu") - add_library(sirius_cu "${CUFILES_KERNELS};${CUFILES_SDDK}") - set_target_properties(sirius_cu PROPERTIES POSITION_INDEPENDENT_CODE ON) -- INSTALL (TARGETS sirius_cu ARCHIVE DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/) -+ INSTALL (TARGETS sirius_cu -+ ARCHIVE DESTINATION "${CMAKE_INSTALL_LIBDIR}" -+ LIBRARY DESTINATION "${CMAKE_INSTALL_LIBDIR}" -+ ) - endif() - if(CREATE_FORTRAN_BINDINGS) - add_library(sirius_f "sirius_api.cpp;sirius.f90") - SIRIUS_SETUP_TARGET(sirius_f) - INSTALL (TARGETS sirius_f ARCHIVE DESTINATION -- ${CMAKE_INSTALL_PREFIX}/lib/) -+ ARCHIVE DESTINATION "${CMAKE_INSTALL_LIBDIR}" -+ LIBRARY DESTINATION "${CMAKE_INSTALL_LIBDIR}" -+ ) - set_target_properties(sirius_f PROPERTIES POSITION_INDEPENDENT_CODE ON) - set_target_properties(sirius_f PROPERTIES Fortran_MODULE_DIRECTORY mod_files) - target_link_libraries(sirius_f PUBLIC OpenMP::OpenMP_CXX) --- -2.16.4 - diff --git a/var/spack/repos/builtin/packages/sirius/link-libraries-fortran.patch b/var/spack/repos/builtin/packages/sirius/link-libraries-fortran.patch deleted file mode 100644 index 16de3a1710..0000000000 --- a/var/spack/repos/builtin/packages/sirius/link-libraries-fortran.patch +++ /dev/null @@ -1,25 +0,0 @@ -From 76f238d0ebcfc186f5210b0807b6a83a5c17bd43 Mon Sep 17 00:00:00 2001 -From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch> -Date: Wed, 24 Apr 2019 15:30:50 +0200 -Subject: [PATCH 2/2] cmake: properly link Fortran lib against used libraries - ---- - src/CMakeLists.txt | 2 +- - 1 file changed, 1 insertion(+), 1 deletion(-) - -diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt -index b927adef..a0d4aeb3 100644 ---- a/src/CMakeLists.txt -+++ b/src/CMakeLists.txt -@@ -13,7 +13,7 @@ if(USE_CUDA) - endif() - if(CREATE_FORTRAN_BINDINGS) - add_library(sirius_f "sirius_api.cpp;sirius.f90") -- add_dependencies(sirius_f generate_version_hpp runtime_options_json_hpp) -+ SIRIUS_SETUP_TARGET(sirius_f) - INSTALL (TARGETS sirius_f ARCHIVE DESTINATION - ${CMAKE_INSTALL_PREFIX}/lib/) - set_target_properties(sirius_f PROPERTIES POSITION_INDEPENDENT_CODE ON) --- -2.16.4 - diff --git a/var/spack/repos/builtin/packages/sirius/package.py b/var/spack/repos/builtin/packages/sirius/package.py index e9b6b5cd45..20f5a4246d 100644 --- a/var/spack/repos/builtin/packages/sirius/package.py +++ b/var/spack/repos/builtin/packages/sirius/package.py @@ -26,111 +26,54 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): version("7.3.2", sha256="a256508de6b344345c295ad8642dbb260c4753cd87cc3dd192605c33542955d7") version("7.3.1", sha256="8bf9848b8ebf0b43797fd359adf8c84f00822de4eb677e3049f22baa72735e98") version("7.3.0", sha256="69b5cf356adbe181be6c919032859c4e0160901ff42a885d7e7ea0f38cc772e2") - version("7.2.7", sha256="929bf7f131a4847624858b9c4295532c24b0c06f6dcef5453c0dfc33fb78eb03") - version("7.2.6", sha256="e751fd46cdc7c481ab23b0839d3f27fb00b75dc61dc22a650c92fe8e35336e3a") - version("7.2.5", sha256="794e03d4da91025f77542d3d593d87a8c74e980394f658a0210a4fd91c011f22") - version("7.2.4", sha256="aeed0e83b80c3a79a9469e7f3fe10d80ad331795e38dbc3c49cb0308e2bd084d") - version("7.2.3", sha256="6c10f0e87e50fcc7cdb4d1b2d35e91dba6144de8f111e36c7d08912e5942a906") - version("7.2.1", sha256="01bf6c9893ff471473e13351ca7fdc2ed6c1f4b1bb7afa151909ea7cd6fa0de7") - version("7.2.0", sha256="537800459db8a7553d7aa251c19f3a31f911930194b068bc5bca2dfb2c9b71db") version( - "7.0.2", - sha256="ee613607ce3be0b2c3f69b560b2415ce1b0e015179002aa90739430dbfaa0389", - deprecated=True, - ) - version( - "7.0.1", - sha256="cca11433f86e7f4921f7956d6589f27bf0fd5539f3e8f96e66a3a6f274888595", - deprecated=True, - ) - version( - "7.0.0", - sha256="da783df11e7b65668e29ba8d55c8a6827e2216ad6d88040f84f42ac20fd1bb99", - deprecated=True, - ) - version( - "6.5.7", - sha256="d886c3066163c43666ebac2ea50351df03907b5686671e514a75f131ba51b43c", - deprecated=True, - ) - version( - "6.5.6", - sha256="c8120100bde4477545eae489ea7f9140d264a3f88696ec92728616d78f214cae", - deprecated=True, - ) - version( - "6.5.5", - sha256="0b23d3a8512682eea67aec57271031c65f465b61853a165015b38f7477651dd1", - deprecated=True, - ) - version( - "6.5.4", - sha256="5f731926b882a567d117afa5e0ed33291f1db887fce52f371ba51f014209b85d", - deprecated=True, - ) - version( - "6.5.3", - sha256="eae0c303f332425a8c792d4455dca62557931b28a5df8b4c242652d5ffddd580", + "7.2.7", + sha256="929bf7f131a4847624858b9c4295532c24b0c06f6dcef5453c0dfc33fb78eb03", deprecated=True, ) version( - "6.5.2", - sha256="c18adc45b069ebae03f94eeeeed031ee99b3d8171fa6ee73c7c6fb1e42397fe7", + "7.2.6", + sha256="e751fd46cdc7c481ab23b0839d3f27fb00b75dc61dc22a650c92fe8e35336e3a", deprecated=True, ) version( - "6.5.1", - sha256="599dd0fa25a4e83db2a359257a125e855d4259188cf5b0065b8e7e66378eacf3", + "7.2.5", + sha256="794e03d4da91025f77542d3d593d87a8c74e980394f658a0210a4fd91c011f22", deprecated=True, ) version( - "6.5.0", - sha256="5544f3abbb71dcd6aa08d18aceaf53c38373de4cbd0c3af44fbb39c20cfeb7cc", + "7.2.4", + sha256="aeed0e83b80c3a79a9469e7f3fe10d80ad331795e38dbc3c49cb0308e2bd084d", deprecated=True, ) version( - "6.4.4", - sha256="1c5de9565781847658c3cc11edcb404e6e6d1c5a9dfc81e977de7a9a7a162c8a", + "7.2.3", + sha256="6c10f0e87e50fcc7cdb4d1b2d35e91dba6144de8f111e36c7d08912e5942a906", deprecated=True, ) version( - "6.4.3", - sha256="4d1effeadb84b3e1efd7d9ac88018ef567aa2e0aa72e1112f0abf2e493e2a189", + "7.2.1", + sha256="01bf6c9893ff471473e13351ca7fdc2ed6c1f4b1bb7afa151909ea7cd6fa0de7", deprecated=True, ) version( - "6.4.2", - sha256="40b9b66deebb6538fc0f4cd802554d0d763ea6426b9b2f0e8db8dc617e494479", + "7.2.0", + sha256="537800459db8a7553d7aa251c19f3a31f911930194b068bc5bca2dfb2c9b71db", deprecated=True, ) version( - "6.4.1", - sha256="86f25c71517952a63e92e0a9bcf66d27e4afb2b0d67cf84af480f116b8e7f53c", - deprecated=True, - ) - version( - "6.4.0", - sha256="bc61758b71dd2996e2ff515b8c3560b2c69c00931cb2811a163a31bcfea4436e", - deprecated=True, - ) - version( - "6.3.4", - sha256="8839e988b4bb6ef99b6180f7fba03a5537e31fce51bb3e4c2298b513d6a07e0a", - deprecated=True, - ) - version( - "6.3.3", - sha256="7ba30a4e5c9a545433251211454ec0d59b74ba8941346057bc7de11e7f6886f7", + "7.0.2", + sha256="ee613607ce3be0b2c3f69b560b2415ce1b0e015179002aa90739430dbfaa0389", deprecated=True, ) version( - "6.3.2", - sha256="1723e5ad338dad9a816369a6957101b2cae7214425406b12e8712c82447a7ee5", + "7.0.1", + sha256="cca11433f86e7f4921f7956d6589f27bf0fd5539f3e8f96e66a3a6f274888595", deprecated=True, ) version( - "6.1.5", - sha256="379f0a2e5208fd6d91c2bd4939c3a5c40002975fb97652946fa1bfe4a3ef97cb", + "7.0.0", + sha256="da783df11e7b65668e29ba8d55c8a6827e2216ad6d88040f84f42ac20fd1bb99", deprecated=True, ) @@ -165,6 +108,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): "profiler", default=True, description="Use internal profiler to measure execution time" ) + depends_on("cmake@3.23:", type="build") depends_on("mpi") depends_on("gsl") depends_on("lapack") @@ -191,7 +135,6 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): depends_on("magma", when="+magma") depends_on("boost cxxstd=14 +filesystem", when="+boost_filesystem") - depends_on("spfft@0.9.6: +mpi", when="@6.4.0:") depends_on("spfft@0.9.13:", when="@7.0.1:") depends_on("spfft+single_precision", when="+single_precision ^spfft") depends_on("spfft+cuda", when="+cuda ^spfft") @@ -217,7 +160,6 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): # FindHIP cmake script only works for < 4.1 depends_on("hip@:4.0", when="@:7.2.0 +rocm") - conflicts("+shared", when="@6.3.0:6.4") conflicts("+boost_filesystem", when="~apps") conflicts("^libxc@5.0.0") # known to produce incorrect results conflicts("+single_precision", when="@:7.2.4") @@ -244,32 +186,8 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): depends_on("umpire+cuda~device_alloc", when="+cuda") depends_on("umpire+rocm~device_alloc", when="+rocm") - patch("strip-spglib-include-subfolder.patch", when="@6.1.5") - patch("link-libraries-fortran.patch", when="@6.1.5") - patch("cmake-fix-shared-library-installation.patch", when="@6.1.5") patch("mpi_datatypes.patch", when="@:7.2.6") - @property - def libs(self): - libraries = [] - - if "@6.3.0:" in self.spec: - libraries += ["libsirius"] - - return find_libraries( - libraries, root=self.prefix, shared="+shared" in self.spec, recursive=True - ) - else: - if "+fortran" in self.spec: - libraries += ["libsirius_f"] - - if "+cuda" in self.spec: - libraries += ["libsirius_cu"] - - return find_libraries( - libraries, root=self.prefix, shared="+shared" in self.spec, recursive=True - ) - def cmake_args(self): spec = self.spec @@ -335,14 +253,8 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): if "+cuda" in spec: cuda_arch = spec.variants["cuda_arch"].value if cuda_arch[0] != "none": - # Specify a single arch directly - if "@:6" in spec: - args.append( - self.define("CMAKE_CUDA_FLAGS", "-arch=sm_{0}".format(cuda_arch[0])) - ) - # Make SIRIUS handle it - elif "@6:7.4.3" in spec: + if "@6:7.4.3" in spec: args.append(self.define("CMAKE_CUDA_ARCH", ";".join(cuda_arch))) else: args.append(self.define("CMAKE_CUDA_ARCHITECTURES", ";".join(cuda_arch))) diff --git a/var/spack/repos/builtin/packages/sirius/strip-spglib-include-subfolder.patch b/var/spack/repos/builtin/packages/sirius/strip-spglib-include-subfolder.patch deleted file mode 100644 index 0e775149a3..0000000000 --- a/var/spack/repos/builtin/packages/sirius/strip-spglib-include-subfolder.patch +++ /dev/null @@ -1,25 +0,0 @@ -From 1a4ae29387790183b3de38acf8d38623429f3f62 Mon Sep 17 00:00:00 2001 -From: =?UTF-8?q?Tiziano=20M=C3=BCller?= <tiziano.mueller@chem.uzh.ch> -Date: Wed, 24 Apr 2019 11:29:05 +0200 -Subject: [PATCH] spglib does not install to a subfolder by default - ---- - src/Unit_cell/unit_cell_symmetry.hpp | 2 +- - 1 file changed, 1 insertion(+), 1 deletion(-) - -diff --git a/src/Unit_cell/unit_cell_symmetry.hpp b/src/Unit_cell/unit_cell_symmetry.hpp -index 9852bd4a..2c5a1e04 100644 ---- a/src/Unit_cell/unit_cell_symmetry.hpp -+++ b/src/Unit_cell/unit_cell_symmetry.hpp -@@ -26,7 +26,7 @@ - #define __UNIT_CELL_SYMMETRY_HPP__ - - extern "C" { --#include <spglib/spglib.h> -+#include <spglib.h> - } - - #include "geometry3d.hpp" --- -2.16.4 - |