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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
2023-08-21tasmanian@:7.9 +cuda conflicts with cuda@12 (#39541)eugeneswalker1-0/+3
2023-08-21add sundials v6.6.0 (#39526)David Gardner1-0/+1
2023-08-21singularityce: fix after no spaces in Executable allowed (#39553)Wouter Deconinck1-6/+6
2023-08-21amdblis recipe: adding variant for a performance flag (#39549)Dr Marco Claudio De La Pierre1-0/+6
* amdblis recipe: adding variant for a performance flag Signed-off-by: Dr Marco De La Pierre <marco.delapierre@gmail.com> * typo fix Signed-off-by: Dr Marco De La Pierre <marco.delapierre@gmail.com> * style fix Signed-off-by: Dr Marco De La Pierre <marco.delapierre@gmail.com> * another typo fix Signed-off-by: Dr Marco De La Pierre <marco.delapierre@gmail.com> * one more style fix Signed-off-by: Dr Marco De La Pierre <marco.delapierre@gmail.com> --------- Signed-off-by: Dr Marco De La Pierre <marco.delapierre@gmail.com>
2023-08-21Update cp2k recipe (#39128)Taillefumier Mathieu2-4/+21
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi> Co-authored-by: Rocco Meli <r.meli@bluemail.ch>
2023-08-21aws-sdk-cpp: new versions and greatly reduce install size(#39511)Harmen Stoppels1-0/+6
2023-08-21cepgen: new version 1.1.0 (#39550)Wouter Deconinck1-0/+4
2023-08-21whizard: new versions 3.1.1 and 3.1.2 (#39540)Wouter Deconinck1-0/+2
2023-08-21zlib: new version 1.3 (#39539)Wouter Deconinck1-0/+1
2023-08-21zlib: add git url (#39533)Wouter Deconinck1-0/+1
2023-08-18cdo: add v2.2.2 (#39506)Brian Spilner1-2/+8
* update cdo-2.2.2 * add note on hdf5
2023-08-18less: update version, dependencies (#39521)Todd Gamblin1-0/+3
2023-08-18[py-gradio-client] New package (#39496)Jen Herting1-0/+27
2023-08-18[py-openmim] Beginning work (#39494)Jen Herting1-0/+26
2023-08-18[py-confection] new package (#39491)Jen Herting1-0/+21
2023-08-18py-multiqc: add 1.15, correct py-matplotlib dependency (#39509)George Young1-1/+2
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-08-18py-markdown-it-py: add linkify variant and v2.2.0 (#39492)Jen Herting1-0/+6
* [py-markdown-it-py] added linkify variant * [py-markdown-it-py] added version 2.2.0
2023-08-18fortrilinos: release 2.3.0 compatible with trilinos@14 (#39500)Seth R. Johnson1-3/+5
* fortrilinos: release 2.3.0 compatible with trilinos@14.0
2023-08-18New: py-alpaca-farm, py-alpaca-eval, py-tiktoken; Updated: py-accerlate, ↵Benjamin Meyers5-0/+102
py-transformers (#39432)
2023-08-18WarpX 23.08 (#39407)Axel Huebl3-13/+16
* WarpX 23.08 Update WarpX and related Python packages to the lastest releases. * fix style --------- Co-authored-by: eugeneswalker <eugenesunsetwalker@gmail.com>
2023-08-17Updating the versions of available tarballs and adding an eigen3 variant as ↵Vijay M1-14/+22
well (#39498)
2023-08-17`zlib-api`: use `zlib-ng +compat` by default (#39358)Harmen Stoppels1-0/+3
In the HPC package manager, we want the fastest `zlib` implementation by default. `zlib-ng` is up to 4x faster than stock `zlib`, and it can do things like take advantage of AVX-512 instructions. This PR makes `zlib-ng` the default `zlib-api` provider (`zlib-api` was introduced earlier, in #37372). As far as I can see, the only issues you can encounter are: 1. Build issues with packages that heavily rely on `zlib` internals. In Gitlab CI only one out of hundreds of packages had that issue (it extended zlib with deflate stuff, and used its own copy of zlib sources). 2. Packages that like to detect `zlib-ng` separately and rely on `zlib-ng` internals. The only issue I've found with this among the hundreds of packages built in CI is `perl` trying to report more specific zlib-ng version details, and relied on some internals that got refactored. But yeah... that warrants a patch / conflict and is nothing special. At runtime, you cannot really have any issues, given that zlib and zlib-ng export the exact same symbols (and zlib-ng tests this in their CI). You can't really have issues with externals when using zlib-ng either. The only type of issue is when system zlib is rather new, and not marked as external; if another external uses new symbols, and Spack builds an older zlib/zlib-ng, then the external might not find the new symbols. But this is a configuration issue, and it's not an issue caused by zlib-ng, as the same would happen with older Spack zlib. * zlib-api: use zlib-ng +compat by default * make a trivial change to zlib-ng to trigger a rebuild * add `haampie` as maintainer
2023-08-17py-flake8: bump including deps (#39426)Harmen Stoppels3-0/+8
2023-08-17zig: add v0.11.0 (#39484)Massimiliano Culpo1-0/+2
2023-08-17boost %oneapi: add cxxflags -Wno-error=enum-constexpr-conversion (#39477)eugeneswalker1-0/+6
2023-08-17gmsh %oneapi: add cflag: -Wno-error=implicit-function-declaration (#39476)eugeneswalker1-0/+6
2023-08-17py-ruamel-yaml-clib %oneapi: -Wno-error=incompatible-function-pointer-types ↵eugeneswalker1-0/+6
(#39480)
2023-08-17sz %oneapi: add cflag=-Wno-error=implicit-function-declaration (#39467)eugeneswalker1-0/+6