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2023-08-24[py-smartsim] New Package (#39306)Matt Drozt3-0/+132
* Create a smartsim package * rm ss 0.4.2 * no py upper bound, add build dep * add setup_build_env * add comment to find ml deps lower bounds * Apply suggestions from code review Correct dep versions, use `python_purelib` Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * remove the cuda/rocm vars * point editors to bin deps version constraints * Apply suggestions from code review Loosen `py-smartredis` constraint, enforce `setup.cfg` py version Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * style * rm rai lower bound * lower bound setuptools Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-08-24py-particle: new versions through 0.23.0 (#39547)Wouter Deconinck1-0/+4
* py-particle: new versions through 0.23.0 * py-particle: depends_on py-deprecated
2023-08-24preCICE: prepare for version 3 (#39486)Frédéric Simonis1-33/+54
2023-08-24py-sphinx: add v7.2 (#39513)Adam J. Stewart1-0/+6
2023-08-24add magma variant to strumpack (#39224)Sajid Ali1-0/+5
* add magma variant to strumpack * clarify conflicts to be excuive to rocm/cuda, without it +magma+cuda fails as it is ~rocm modified: var/spack/repos/builtin/packages/strumpack/package.py * add missing depends_on for magma variant
2023-08-24zlib-ng: build system patches (#39559)Harmen Stoppels4-1/+871
2023-08-24h5bench: add e4s tag (#39595)eugeneswalker1-0/+2
2023-08-24fms: add v2023.02 and v2023.01.01 (#39434)Ryan Mulhall1-0/+11
* Add 2023.02 and 2023.01.01 with variant for mpp_io and fms_io deprecation Co-authored-by: rem1776 <Ryan.Mulhall@noaa.gov>
2023-08-24perl-http-message: add dependency on perl-clone (#39567)Alan Orth1-0/+1
Clone is a hard dependency as of HTTP-Message v6.44. This causes problems in packages like Roary which depend on perl-http-message: $ spack load roary $ roary Use of uninitialized value in require at /var/scratch/spack/opt/spack/linux-centos8-x86_64_v3/gcc-8.5.0/perl-http-message-6.44-lzp5th4jddd3gojkjfli4hljgem2nl26/lib/perl5/HTTP/Headers.pm line 8. Can't locate Clone.pm in @INC (you may need to install the Clone module) (@INC contains: /home/aorth/lib ... See: https://github.com/libwww-perl/HTTP-Message/blob/master/Changes
2023-08-24Add package mpi-test-suite (#39487)Julien Cortial2-0/+45
2023-08-24ffmpeg: apply upstream fix for build with binutils 2.41 (#39392)Martin Aumüller1-0/+7
While spack does not yet provide binutils 2.41, they might still be installed. However, building ffmpeg on x86_64 fails with multiple errors like this: ./libavcodec/x86/mathops.h:125: Error: operand type mismatch for `shr' also reported here: https://trac.ffmpeg.org/ticket/10405
2023-08-24Make lcov dependency on perl explicit (#39485)Julien Cortial1-1/+8
2023-08-24Arbor: version added: v0.9.0 (#39374)Brent Huisman1-9/+21
2023-08-24lammps: simplify url_for_version logic (#39554)Richard Berger1-31/+23
Use the stable_versions variable to check stable versions
2023-08-23slurm: add version 23-02-3-1 and 23-02-4-1 (#39598)Richard Berger1-0/+2
2023-08-23Add amg2023 package; remove amg package (#39105)Greg Becker4-85/+102
Add amg2023 package Consolidate existing amg and amg2013 packages (they reference the same code) under the amg2013 name to minimize confusion between amg2023 and amg2013. Co-authored-by: Riyaz Haque <haque1@llnl.gov>
2023-08-23Include t8code package (#39391)svengoldberg1-0/+75
* t8code: Create new spack package Co-authored-by: Bernhard Kaindl <bernhardkaindl7@gmail.com>
2023-08-23adios2: correct c-blosc dependency (#39385)Vicente Bolea2-1/+4
* adios2: correct c-blosc dependency * c-blosc2: disable oneapi spec
2023-08-23cfitsio: add new version 4.3.0 (#39588)lorddavidiii1-0/+1
2023-08-23elpa 2023.05 (#39585)Simon Pintarelli1-0/+3
2023-08-23aws-sdk-cpp: disable flaky tests in build (#39565)Harmen Stoppels1-1/+5
2023-08-23Add kpp2 branch tag and move to GitHub. (#39503)Cameron Rutherford1-2/+3
2023-08-23FleCSI dependency updates (#39557)Richard Berger1-10/+9
* use full cuda_arch list * update compiler requirement * update boost requirements * propagate +kokkos to legion in non-GPU cases * add missing graphviz dependency for +doc
2023-08-23llvm: fix `elf` dep conditions and cmake bug (#39566)Harmen Stoppels3-10/+60
2023-08-23Add CDT (Constrained Delaunay Triangulation) library (#39488)Julien Cortial1-0/+47
2023-08-23py-nbmake: add v1.4.3 (#39514)Adam J. Stewart1-1/+4
2023-08-23libyogrt %oneapi: add cflag=-Wno-error=implicit-function-declaration (#39522)eugeneswalker1-0/+6
2023-08-23embree: new versions and ARM support (#38083)Martin Aumüller2-15/+33
2023-08-23QMCPACK: add v3.17.0 (#39523)Paul R. C. Kent1-0/+1
2023-08-23xtb: fix `la_backend` logic (#38309)Leopold Talirz2-2/+21
2023-08-23PAPI misc fixes (#39191)Giuseppe Congiu1-3/+5
Spack installs the hsa-rocr-dev and rocprofiler packages into different directories. However, PAPI typically expects those to be under the same directory and locates such directory through the PAPI_ROCM_ROOT env variable. The PAPI rocm component also allows users to override PAPI_ROCM_ROOT to locate directly the librocprofiler64.so through the HSA_TOOLS_LIB env variable that acts directly onto the HSA runtime tools mechanism. Hence, in order to account for the decoupling of hsa and rocprofiler, this patch sets HSA_TOOLS_LIB to librocprofiler64.so full path.
2023-08-23sentieon-genomics: adding version 202308 (#39572)snehring1-0/+1
2023-08-23sublime-test: add v4.4152 (#39577)Laura Weber1-1/+2
2023-08-23xmlrpc-c: add build of xmlrpc tools directory (#39580)eflumerf1-0/+10
2023-08-23py-torchmetrics: add v1.1.0 (#39582)Adam J. Stewart1-0/+2
2023-08-23py-lightly: add v1.4.16 (#39583)Adam J. Stewart1-0/+1
2023-08-23Update version constraint for HIP patch (#39578)Mikael Simberg1-1/+1
2023-08-22py-boost-histogram: new version 1.3.2 (#39558)Wouter Deconinck1-0/+1
2023-08-22py-uhi: new versions 0.3.2, 0.3.3 (#39548)Wouter Deconinck1-1/+5
2023-08-22py-hepunits: new version 2.3.2 (#39546)Wouter Deconinck1-0/+1
2023-08-22Update/py pennylane lightning (#39466)Vincent Michaud-Rioux3-17/+21
* Update pennylane-lightning. * Update Lightning-Kokkos to v0.31 * Constrain scipy version. * Update var/spack/repos/builtin/packages/py-pennylane-lightning-kokkos/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Fix PLK kokkos dep versioning. * Move kokkos ver outised backend loop and reformat. * Update package.py --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-08-22py-xarray: add v2023.7.0 (#39418)genric1-5/+11
* py-xarray: add v2023.7.0 * address review comments
2023-08-22libiberty: add version 2.41 (#39569)Tim Haines1-0/+1
2023-08-22tau: add v2.32.1 (#39504)eugeneswalker1-0/+4
2023-08-22veccore: new variant vc (#39542)Wouter Deconinck1-0/+8
* veccore: new variants umesimd and vc * veccore: remove variant umesimd again
2023-08-22clingo-bootstrap: pgo, lto, allocator optimizations (#34926)Harmen Stoppels6-26/+238
Add support for PGO and LTO for gcc, clang and apple-clang, and add a patch to allow mimalloc as an allocator in operator new/delete, give reduces clingo runtime by about 30%.
2023-08-22parallelio: add v2.6.1 (#39479)Jim Edwards3-0/+63
2023-08-21openPMD-api: 0.15.2 (#39528)Axel Huebl1-3/+4
Latest patch release.
2023-08-21C-Blosc2: v2.10.2 (#39537)Axel Huebl1-1/+3
This fixes regressions with external dependencies introduced in 2.10.1
2023-08-21[bats] Update to v1.10.0 (#39561)Kamil Iskra1-4/+9
* [bats] Update to v1.10.0 Original bats has been abandoned for years; nowadays it's community-maintained. * [bats] Fix style
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