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2023-01-26Setting LIBDIR to lib in rocm-smi-lib across all platform (#34805)renjithravindrankannath1-1/+5
2023-01-26py-poetry-core GIT_DIR fix (#35139)mtaylo121-2/+2
2023-01-26ports-of-call: add v1.4.1, deprecate old versions (#35151)Richard Berger1-9/+18
2023-01-25NVIDIA HPC SDK: add v23.1 (#35169)Filippo Spiga1-0/+14
2023-01-26p5-h5py: restrict python version based on import bugs (#35166)Seth R. Johnson1-0/+1
``` File ".../spack/var/spack/environments/scale-mpi/.spack-env/._view/4yiorsdd4pefrnwgrwlwt3yzo5i235il/lib/python3.10/site-packages/h5py/_hl/base.py", line 19, in <module> from collections import (Mapping, MutableMapping, KeysView, ImportError: cannot import name 'Mapping' from 'collections' (.../spack/var/spack/environments/scale-mpi/.spack-env/._view/4yiorsdd4pefrnwgrwlwt3yzo5i235il/lib/python3.10/collections/__init__.py) ``` Fixed in https://github.com/h5py/h5py/pull/1069 which was first merged in v2.9.
2023-01-26Update gftl, gftl-shared, fargparse, pfunit, yafyaml, pflogger (#35119)Matthew Thompson6-2/+21
2023-01-25trilinos@14: conflicts with cxxstd=14 (#35164)eugeneswalker1-0/+1
2023-01-25py-sphobjinv: add v2.3.1 (#35044)Adam J. Stewart1-4/+9
2023-01-25py-pytorch-lightning: add +extra variant (#35121)Adam J. Stewart17-16/+696
* py-pytorch-lightning: add +extra variant * Update dependencies * py-fsspec: add v2023.1.0
2023-01-25perl-math-symbolic: add 0.612 (#35145)Christopher Christofi1-0/+17
2023-01-25qperf: add verbs support (#35147)Michael Kuhn1-0/+4
2023-01-25py-cligj: add v0.7.2 (#35149)Adam J. Stewart1-6/+8
2023-01-25py-pycocotools: add v2.0.6 (#35150)Adam J. Stewart1-3/+6
2023-01-25py-scikit-learn: add v1.2.1 (#35152)Adam J. Stewart1-0/+1
2023-01-25spiner: add v1.6.0 (#35154)Richard Berger1-21/+35
2023-01-25amqp-cpp: added RabbitMQ C++ API (#35156)Loïc Pottier1-0/+39
Signed-off-by: Loïc Pottier <pottier1@llnl.gov>
2023-01-25Add Orca version 5.0.3-f.1 (#35157)Sebastian Ehlert1-2/+18
2023-01-25py-colorlover: new package with version 0.3.0 (#35144)Christopher Christofi1-0/+17
2023-01-25Add packages for scine modules (#34969)Sebastian Ehlert11-0/+585
* Add packages for scine modules - lbfgspp (dependency for scine-utilities) - scine-core - scine-utilities and py-scine-utilities (virtual) - scine-readuct and py-scine-readuct (virtual) - scine-sparrow and py-scine-sparrow (virtual) - scine-database and py-scine-database (virtual) - scine-molassembler and py-scine-molassembler (virtual) - scine-xtb and py-scine-xtb (virtual) - py-scine-chemoton - py-scine-puffin * Fix line-length for flake8 * Remove virtual dependencies * Update detection of boost, minor fixes in packages / dependencies * Correctly declare build-only dependencies, add git versions * Add sparrow dummy packages, fix dependencies * Rename latest version from develop to master * Restore original sparrow package * Also rename latest version for chemoton and puffin
2023-01-25py-flatten-dict: require poetry to build. (#35122)Matthias Wolf1-2/+2
* py-flatten-dict: require poetry to build. The sources seem to contain a bundled, auto-generated `setup.py`. Building with `pip` insist on using Poetry as mentioned in `pyproject.toml`, so require it as a build dependency. * Update var/spack/repos/builtin/packages/py-flatten-dict/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/py-flatten-dict/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-01-25py-lazy: add 1.4 and 1.5 (#35124)Erik Heeren1-0/+13
* py-lazy: add 1.4 and 1.5 * py-lazy: add url_for_version
2023-01-25Add package `py-continuum` (#35082)Thomas Bouvier2-0/+71
* Add package `py-continuum` * `py-continuum`: missing `py-pytest-mock` dependency * `py-continuum`: add missing python dependency * [@spackbot] updating style on behalf of thomas-bouvier * Patch to remove useless `prospector` package * Link to original PR Co-authored-by: thomas-bouvier <thomas-bouvier@users.noreply.github.com>
2023-01-25py-pyspark: new versions (#35129)Erik Heeren2-8/+29
* py-pyspark: new versions * py-py4j: new versions * py-py4j: more style * py-py4j: even more style * py-spark, py4j: review remarks
2023-01-25libxc: 6.1.0 (#35159)Harmen Stoppels1-8/+5
Currently 6.0.0 fails on develop about incorrect shasum, but I can't reproduce; maybe the download was temporarily unavailable.
2023-01-25Update COSTA package (#35137)Rocco Meli1-5/+14
2023-01-24py-scipy: do not build 1.6 and older with python < 3.10.1 (#35120)Gilles Gouaillardet1-4/+4
py-scipy 1.6 and older come with pre cython-ized files that use the _PyGen_Send symbol that was removed from python 3.10.0.161, so do not build these old versions with python 3.10.1 and later
2023-01-24loki%gcc@11: -std=c++14 to avoid issue #32122 (#35148)eugeneswalker1-3/+4
2023-01-24LAMMPS: Add package ml-hdnnp. (#35133)Rémi Lacroix1-0/+21
First added as user-hdnnp in version 20210527.
2023-01-24Add package `py-nvidia-dali` (#35058)Thomas Bouvier1-0/+56
* Add package `py-nvidia-dali` * Add linux check * Add missing deps
2023-01-24Fix dbcsr checksums (#35134)Taillefumier Mathieu1-3/+3
2023-01-24hip: add cuda variant (#33872)Cory Bloor1-123/+140
2023-01-24New package: srcml (#35097)Jen Herting1-0/+37
* Initial srcml * [srcml] - Fixed dependencies likely will need some more rework - Disabling packaging cmake file (for now) - Added patch to fix issue with source code library import * [srcml] updated copyright * [srcml] requires antlr complied with -fPIC * [srcml] cleaned up dependencies * [srcml] flake8 * [srcml] limiting boost versions Co-authored-by: Benjamin Meyers <bsmits@rit.edu> Co-authored-by: qwertos <qwertos@users.noreply.github.com>
2023-01-24py-planetary-computer: add new package (#35089)Adam J. Stewart2-0/+42
2023-01-24Add whip 0.1.0 and use in pika (#35073)Mikael Simberg2-4/+8
* Add whip 0.1.0 * Make pika depend on whip@0.1.0 Co-authored-by: msimberg <msimberg@users.noreply.github.com>
2023-01-24rmgdft: Update for version 5.0.1 (#35047)Emil Briggs1-5/+10
* Updated for RMG version 5.0.1 * Update var/spack/repos/builtin/packages/rmgdft/package.py Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
2023-01-24ForTrilinos: new version 2.2.0 (#35138)Seth R. Johnson1-1/+3
2023-01-24libgcrypt: make sure flags go through env (#35135)Harmen Stoppels1-0/+6
Parts of libgcrypt should not be optimized with -O1/2/3, so it's best to let the build system do that; the build system cannot know the compiler wrapper would inject optimization flags
2023-01-24hdf5: remove direct dependency on msmpi on Windows (#35111)John W. Parent1-1/+0
2023-01-24mochi-margo: add v0.12 (#35132)Matthieu Dorier1-0/+1
2023-01-24Windows: conflict with Apple-GL (#35114)John W. Parent1-0/+2
2023-01-24Update dbcsr version (#35131)Taillefumier Mathieu1-0/+3
2023-01-23ParaView/VTK: Patch xdmf2 for HDF5 1.13 (#33930)kwryankrattiger6-1/+146
* ParaView/VTK: Patch xdmf2 for HDF5 1.13 * Meson: update meson build system for 0.64 * ParaView: Change HDF5 1.13 patch to 1.13.1/2 patchs * Mesa: Remove legacy mesa option from meson_args * Use append to assemble meson args
2023-01-23curl: New version 7.87.0 (#35088)Erik Schnetter1-0/+2
2023-01-23actually add samtools 1.16.1 and fix Copyright dates on samtools, bcftools, ↵downloadico3-3/+4
and htslib (#35118) * samtools: add version 1.16.1 (for real this time!) also, fix Copyright date * bcftools and htslib: fix Copyright date
2023-01-23Update qmd-progress package.py (#34841)Jean-Luc Fattebert1-5/+11
2023-01-23helics: Add version 3.4.0 (#35096)HELICS-bot1-0/+1
Co-authored-by: github-actions[bot] <github-actions[bot]@users.noreply.github.com>
2023-01-23n2p2: Allow building shared libraries (#35080)Rémi Lacroix1-0/+4
2023-01-23Update parallelio from NOAA-EMC fork (#34837)Alex Richert2-8/+49
2023-01-23freeimage: fails to compile with c++17, use c++14 (#35067)Wouter Deconinck2-1/+13
* freeimage: fails to compile with c++17, use c++14 Only `opencascade` when a (non-default) variant depends on `freeimage`, which seems to have gone unmaintained. There are c++17 standard violations [[1]]( https://en.cppreference.com/w/cpp/language/except_spec) in the code, so we can at most expect c++14. Since some compilers default to c++17 (gcc-12) we need to be explicit. * freeimage: install directly in prefix * freeimage: fix inverted patch
2023-01-23update Samtools, bcftools, and htslib versions (#35043)downloadico3-3/+6
* samtools: add version 1.6.1 * htslib: update version to 1.6 * bcftools: update version to 1.6
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