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2023-04-06GNINA: add cuDNN variant and make RDKit optional (#36270)Rocco Meli2-5/+10
* add cuDNN variant and make RDKit optional * [@spackbot] updating style on behalf of RMeli * add newer version of rdkit --------- Co-authored-by: RMeli <RMeli@users.noreply.github.com>
2023-04-06singularity: deprecate all versions pre-fork, remove maintainer (#36654)Massimiliano Culpo1-24/+105
2023-04-06crmc: add v2.0.1 (#36236)Alec Scott1-55/+56
Hint: The diff for this file is large because it initially had CRLF (DOS) eol style.
2023-04-05intel-oneapi-openvpl-2023.1.0 (#36668)Andrey Perestoronin1-0/+6
2023-04-05intel 2023.1.0 release fix versioning (#36665)Andrey Perestoronin11-11/+11
2023-04-05[py-mizani] added version 0.8.1 (#36500)Jen Herting1-0/+6
2023-04-05openPMD-api: 0.15.1 Patch version.hpp (#36662)Axel Huebl1-0/+7
Forgot to bump a version in the public header during release.
2023-04-05New package: py-qiskit-ibm-provider and more (#36661)Jen Herting5-1/+87
* [py-singledispatchmethod] new package * [py-singledispatchmethod] added missing dependency * new package required for qiskit * [py-rustworkx] - removed redundant dependency on py-wheel - added dependency on py-numpy * [py-websocket-client] added version 1.5.1 * modified it is ahead of upstream * [py-qiskit-terra] - flake8 - removed duplicate dependencies - fixed acceptable range for py-symengine * [py-qiskit-terra] tweedledum no longer needed * [py-qiskit-terra] depends on py-singledispatchmethod * [py-qiskit-ibm-provider] new package --------- Co-authored-by: Sid Pendelberry <sid@rit.edu>
2023-04-05archspec: add v0.2.0, deprecate old versions (#36653)Massimiliano Culpo1-14/+34
* archspec: add v0.2.0, deprecate old versions * Simplify version ranges Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Remove py-setuptools --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-04-05Update archspec to HEAD of develop (#36657)Massimiliano Culpo3-12/+62
2023-04-05[py-backports-zoneinfo] New package (#36499)Jen Herting1-0/+17
* [py-backports-zoneinfo] New package * [py-backports-zoneinfo] removed references to python 3.6
2023-04-05gromacs: add cufftmp variant to enable distributed PME when using CUDA (#36552)Daniel Ahlin1-0/+10
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-04-05UPC++/GASNet-EX 2023.3.0 update (#36629)Dan Bonachea3-3/+29
2023-04-05pika: Add version 0.14.0 (#36652)Mikael Simberg1-6/+13
* Rename PIKA_WITH_P2300_REFERENCE_IMPLEMENTATION CMake option in pika package * Remove unnecessary use of self in pika package * Use append instead of list += for single options in pika package * Add pika 0.14.0
2023-04-05binutils: deprecate old version, build static on darwin (#36646)Massimiliano Culpo1-10/+51
The issue comes from libctf.
2023-04-04minisign: add v0.11 (#36647)Massimiliano Culpo1-0/+1
2023-04-04add tandem package (#36546)Thomas-Ulrich2-0/+101
* add tandem package * apply black * fix import * fix year of license * add version 1.0 and associated compile fix * change git to property * add conflict to intel
2023-04-04Packages/ophidia primitives (#36575)SoniaScard1-4/+1
* ophidia-primitives: new package at v1.7 * ophidia-primitives: Add mantainers * ophidia-primitives: Fix style * ophidia-primitives: update configure arguments * Fix style in package.py --------- Co-authored-by: SoniaScard <SoniaScard@users.noreply.github.com> Co-authored-by: Donatello Elia <eldoo@users.noreply.github.com>
2023-04-04Kokkos: add release 4.0.0 (#36532)Luc Berger2-2/+5
* Kokkos: add release 4.0.0 * Kokkos: updating default c++ standard requirement Now Kokkos requires c++17 as its new minimum c++ standard library. * Kokkos: adding support for new GPU architectures The new updates include NVIDIA Hopper and AMD Navi * Kokkos: fixing style... * paraview +rocm: constrain kokkos dep to @:3.7.01 --------- Co-authored-by: eugeneswalker <38933153+eugeneswalker@users.noreply.github.com> Co-authored-by: eugeneswalker <eugenesunsetwalker@gmail.com>
2023-04-04Enable tests for rocm packages - rocm-smi-lib, rocm-cmake and rocm-clang-ocl ↵afzpatel3-0/+113
(#35299) * initial commit for enabling test for rocm-smi-lib, rocm-cmake and rocm-clang-ocl * fix styling and cleaning code * disabling some tests for rocm-smi-lib * fix style errors
2023-04-04bazel: new versions, macOS patches (#36641)Adam J. Stewart2-70/+380
2023-04-04zig: add v0.10.1 (#36639)Massimiliano Culpo1-4/+7
2023-04-04hdf5 package: fix wrapper handling on Windows(#36265)John W. Parent1-5/+18
* msmpi has no wrappers so don't set MPI_CXX_COMPILER etc. for that MPI implementation * hdf5 on Windows does not have h5cc etc., so do not try to filter them on Windows
2023-04-04OpeMPI: make memchecker variant sticky (#36329)Howard Pritchard1-0/+1
related to #36255 Signed-off-by: Howard Pritchard <howardp@lanl.gov>
2023-04-04sensei: fix ascent constraints (#36622)willdunklin1-1/+3
2023-04-04suite-sparse ^openblas~shared threads=openmp: add -fopenmp (#36521)eugeneswalker1-0/+6
* suite-sparse ^openblas~shared threads=openmp: add -fopenmp to cflags, cxxflags * use compiler.openmp_flag
2023-04-04Add workflow:rules:always to spack ci output (#36011)Jonathon Anderson1-0/+3
2023-04-04py-uproot, py-awkward, py-awkward-cpp: new versions (#36421)Wouter Deconinck3-3/+21
* py-uproot: new versions 5.0.4, 5.0.5 No changed in dependency versions * py-awkward-cpp: new versions * py-awkward: new versions * py-awkward: new version in 1.10.* series
2023-04-04Adding NVIDIA HPC SDK 23.3 (#36624)Filippo Spiga1-0/+14
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-04-04frontier-client: fix build with clang (#29590)Valentin Volkl1-0/+1
2023-04-04update h5bench VOL-ASYNC dependecy with fixes (#36514)Jean Luca Bez1-1/+1
2023-04-04Make spack config update work on environments (#36542)Harmen Stoppels3-21/+46
Previously `spack -e bla config update <section>` would treat the environment config scope as standard config file instead of a single file config scope. This fixes that.
2023-04-04pfunit: fix error with BUILD_SHARED_LIBS (#36554)Matthew Thompson1-1/+1
2023-04-04libdrm: new version 2.4.115 (#35586)Wouter Deconinck1-0/+1
https://gitlab.freedesktop.org/mesa/drm/-/compare/libdrm-2.4.114...libdrm-2.4.115 only bugfixes
2023-04-04acts: add a dependency on git-lfs (#36517)Juan Miguel Carceller1-0/+1
Co-authored-by: jmcarcell <jmcarcell@users.noreply.github.com>
2023-04-04Add versions 3.24.4, 3.25.3 (#36001)John W. Parent1-0/+2
Co-authored-by: Bernhard Kaindl <43588962+bernhardkaindl@users.noreply.github.com>
2023-04-04llvm: add missing zstd dep (#36613)Harmen Stoppels1-0/+10
2023-04-04esmf: add static netcdf-c support (#34579)Alex Richert1-0/+5
2023-04-04lhapdfsets: fix an error by avoiding the lhapdf command (#35997)Valentin Volkl2-3/+18
Co-authored-by: Wouter Deconinck <wdconinc@gmail.com>
2023-04-04sdl2-ttf: add new packageGeorge Malerbo1-0/+20
2023-04-04filter __spack_path_placeholder__ in generated module files after buildcache ↵Harmen Stoppels2-2/+2
install (#36611) * filter __spack_path_placeholder__ in generated module files after buildcache install * fix windows
2023-04-04amrex: add v23.04 (#36596)Weiqun Zhang1-1/+2
2023-04-04PyTorch: fix ppc64le patching (#36621)Adam J. Stewart1-1/+1
2023-04-03eospac: expose version 6.5.6 (#36615)Daryl W. Grunau1-1/+6
Co-authored-by: Daryl W. Grunau <dwg@lanl.gov>
2023-04-03added new packages (#36608)Andrey Perestoronin15-0/+90
2023-04-03gromacs: make package inherit from CudaPackage (#36551)Daniel Ahlin1-2/+1
To conform to spack way of specifying cuda_arch. This commit does not change version-specific gencode handling for older gromacs versions
2023-04-03py-pillow: add v9.5.0 (#36593)Adam J. Stewart1-0/+2
2023-04-03py-pandas: add v2.0.0 (#36617)Adam J. Stewart3-28/+62
2023-04-03modules: remove default symlink on uninstall (#36454)Xavier Delaruelle2-0/+16
When app is uninstalled, if it matches a default, then remove the default symlink targeting its modulefile. Until now, when a default were uninstalled, the default symlink were left pointing to a nonexistent modulefile.
2023-04-03Bump required CMake version for stdexec (#36605)Mikael Simberg1-1/+1
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