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2022-10-10Add checksum for py-tables 3.7.0 (#33157)iarspider1-0/+5
* Add checksum for py-tables 3.7.0 * Update package.py * Update var/spack/repos/builtin/packages/py-tables/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2022-10-10New package: DXT Explorer tool (#31007)Jean Luca Bez1-0/+30
* DXT Explorer tool * Remove comments * Fix style * Syntax change * Fix syntax * remove dependencies, update version number, fix recipe * fix syntax * fixes * change version order
2022-10-10Add checksum for py-stevedore 4.0.0 (#33147)iarspider1-0/+2
2022-10-10Add checksum for py-pycurl 7.45.1 (#33143)iarspider1-0/+1
2022-10-10Add checksum for py-pytools 2022.1.12 (#33142)iarspider1-6/+13
2022-10-10phist: new version 1.11 and patch to make previous versions compile w… ↵Jonas Thies2-8/+201
(#33132) * phist: new version 1.11 and patch to make previous versions compile with OpenBLAS * phist; drop conflict on netlib-lapack and openblas
2022-10-10Update versions of the survey performance tool. (#33058)Jim Galarowicz1-1/+2
2022-10-10 add ANL mpi-serial package (used by parallelio) (#33150)Jim Edwards2-0/+88
2022-10-10Add checksum for py-dill 0.3.5.1 (#33144)iarspider1-3/+6
2022-10-10Add checksum for py-crashtest 0.4.0 (#33162)iarspider1-0/+2
2022-10-10Do not set CMAKE_HIP_ARCHITECTURES if none specified (#33156)Auriane R1-2/+3
2022-10-10Add checksum for py-vector 0.8.5 (#33152)iarspider1-0/+1
2022-10-10Add checksum for py-cachecontrol 0.12.11 (#33160)iarspider1-0/+1
2022-10-10py-torch-nvidia-apex: fix +cuda build (#33070)Adam J. Stewart2-1/+17
2022-10-10hypre: fix to correctly find rocsparse and rocrand when not in ROCM_PATH ↵Sarah Osborn1-1/+8
(#33073)
2022-10-10libfabric: add version 1.16.1 (#33030)snehring1-0/+1
2022-10-10py-matplotlib: add v3.6.1 (#33126)Adam J. Stewart1-0/+1
2022-10-10podio, edm4hep: add latest versions (#33056)Thomas Madlener2-0/+6
2022-10-10py-luigi: add v3.1.1 (#33090)iarspider1-0/+1
2022-10-10shell prompt: enclose control sequence in brackets (#33079)Brian Vanderwende2-4/+10
When setting `PS1` in Bash, it's required to enclose non-printable characters in square brackets, so that the width of the terminal is handled correctly. See https://www.gnu.org/software/bash/manual/bash.html#Controlling-the-Prompt
2022-10-10PythonPackage: fix libs/headers attributes (#32970)Adam J. Stewart2-34/+3
2022-10-10Add checksum for py-lizard 1.17.10 (#33095)iarspider1-0/+1
2022-10-10root: new variant webgui when +root7 (default True) (#33133)Wouter Deconinck1-4/+10
ROOT has a webgui which is available with the `+root7` variant. This is a fairly large part of a ROOT install (275MB out of 732MB on my system) which is not necessarily useful in all use cases (e.g. inside containers on network-restricted HPC/HTC compute nodes). This new variant adds the option to retain the ROOT7 functionality but not necessarily include the `webgui` aspects.
2022-10-10fixbug-ctags-5.8: general.h: missing binary operator before token "(" (#33135)Yang Zongze2-0/+300
`__unused__` defined in `general.h` conflict with the one defined by libc headers, so change it to `__attribute__unused__` according to s.zharkoff: https://bugs.gentoo.org/828550#c11 cmd: `grep -rl "__unused__" . | xargs -n1 sed -i -e 's/\b__unused__\b/__attribute__unused__/g' -e 's/(unused)/(__unused__)/g'`
2022-10-09Add CI stack for ML packages (#31592)Adam J. Stewart4-0/+553
Basic stack of ML packages we would like to test and generate binaries for in CI. Spack now has a large CI framework in GitLab for PR testing and public binary generation. We should take advantage of this to test and distribute optimized binaries for popular ML frameworks. This is a pretty extensive initial set, including CPU, ROCm, and CUDA versions of a core `x96_64_v4` stack. ### Core ML frameworks These are all popular core ML frameworks already available in Spack. - [x] PyTorch - [x] TensorFlow - [x] Scikit-learn - [x] MXNet - [x] CNTK - [x] Caffe - [x] Chainer - [x] XGBoost - [x] Theano ### ML extensions These are domain libraries and wrappers that build on top of core ML libraries - [x] Keras - [x] TensorBoard - [x] torchvision - [x] torchtext - [x] torchaudio - [x] TorchGeo - [x] PyTorch Lightning - [x] torchmetrics - [x] GPyTorch - [x] Horovod ### ML-adjacent libraries These are libraries that aren't specific to ML but are still core libraries used in ML pipelines - [x] numpy - [x] scipy - [x] pandas - [x] ONNX - [x] bazel Co-authored-by: Jonathon Anderson <17242663+blue42u@users.noreply.github.com>
2022-10-09Add checksum for py-nest-asyncio 1.5.5 (#33080)iarspider1-0/+1
2022-10-09Add checksum for py-pycparser 2.21 (#32981)iarspider1-0/+1
2022-10-09Add checksum for py-br 5.10.0 (#33093)iarspider1-0/+1
2022-10-09Add checksum for py-hep-ml 0.7.1 (#33091)iarspider1-0/+1
2022-10-09Add checksum for py-python-daemon 2.3.1 (#33092)iarspider1-0/+1
2022-10-09Add checksum for py-law 0.1.7 (#33089)iarspider1-0/+1
2022-10-09py-eccodes: fix environment variables (#32807)Sergey Kosukhin1-3/+3
2022-10-09py-cdo: add version 1.5.6, deprecate 1.3.2 (#32793)Sergey Kosukhin1-3/+16
* py-cdo: add version 1.5.6 * py-cdo: make python run depdendencies also the build ones * py-cdo: restrict Python version
2022-10-09py-cupy: 11.2 (#33076)Axel Huebl1-4/+11
* py-cupy: 11.2 Add the latest version of `cupy`: https://github.com/cupy/cupy/tree/v11.2.0#installation * Update Dependencies * Deprecate: 8.0.0
2022-10-09Add checksum for py-pybind11 2.10.0 (#32971)iarspider1-0/+2
2022-10-09Add checksum for py-scikit-build 0.15.0 and use sources from pypi (#32954)iarspider1-4/+7
* Add checksum for py-scikit-build 0.15.0 and use sources from pypi * Update var/spack/repos/builtin/packages/py-scikit-build/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2022-10-09Add checksum for py-terminado 0.15.0 (#33085)iarspider1-2/+6
* Add checksum for py-terminado 0.15.0 * Update var/spack/repos/builtin/packages/py-terminado/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2022-10-08new packages (py-metaphlan, py-hclust2, iqtree2) + updates to others ↵Luke Diorio-Toth6-15/+108
(py-dendropy, py-phylophlan, py-pkgconfig) (#32936) * added metaphlan v4, cleaned up phylophlan * added iqtree2 * fixed phylophlan, builds now * changed config.yaml to default * fixed style * py-jsonschema: add 4.16.0 and new package py-hatch-fancy-pypi-readme (#32929) * acfl: add v22.1 (#32915) Co-authored-by: Annop Wongwathanarat <annop.wongwathanarat@arm.com> * Fixup errors introduced by Clingo Pr: (#32905) * re2c depends on cmake on Windows * Winbison properly added to bootstrap package search list * Set CMAKE_HIP_ARCHITECTURES with the value of amdgpu_target (#32901) * libtiff: default to +zlib+jpeg (#32945) * octave: add version 7.2.0 (#32943) * simgrid new releases (#32920) * [rocksdb] Added rtti variant (#32918) * rvs binary path updated for 5.2 rocm release (#32892) * Add checksum for py-pytest-runner 6.0.0 (#32957) * py-einops: add v0.5.0 (#32959) * Replace repo with the NVIDIA one (#32951) * Add checksum for py-tomli 2.0.1 (#32949) * QMCPACK: add @3.15.0 (#32931) * Tidied up configure arguments to use special spack autotools features. (#32930) * casper: old domain fell off, adding github repo (#32928) * unifyfs: pin mercury version; add boost variant (#32911) Mercury has a new version (v2.2) releasing soon that UnifyFS does not build with and hasn't been tested with. This pins UnifyFS to the last version of Mercury used/tested. Add a variant to avoid building/using boost Append -std=gnu99 to cflags if building with gcc@4. Needed for mochi-margo to compile * trilinos: constrain superlu-dist version (#32889) * trilinos: constrain superlu-dist version for 13.x * syntax * FEniCSx: Updates for 0.5.1 (#32665) * Updates for DOLFINx 0.5.1 and associated packages * xtensor needed on anything less than main * Switch back to Python 3.7 minimum. * Might be good to point out in our README how to fix Python version? * Fix basix, xtensor dep * Add numba feature * Fix checksum * Make slepc optional Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com> * simgrid: add variant and remove flag (#32797) * simgrid: remove std c++11 flag * simgrid: add msg variant * Axom: bring in changes from axom repo (#32643) * bring in changes from axom repo Co-authored-by: white238 <white238@users.noreply.github.com> Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com> * Add checksum for py-pyparsing 3.0.9 (#32952) * rdma-core: fix syntax for external discoverability (#32962) * Add checksum for py-flatbuffers 2.0.7 (#32955) * amrex: add v22.10 (#32966) * Remove CMakePackage.define alias from most packages (#32950) * Bug fix for `ca-certificates-mozilla/package.py` to enable `spack install --source` (#32953) * made suggested changes to iqtree2, py-dendropy, py-metaphlan, and py-pkgconfig. Poetry install still broken * reverted py-pkgconfig deps to poetry-core * made iqtree2 less dedundant, changes to py-dendropy and py-pkgconfig deps Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com> Co-authored-by: Annop Wongwathanarat <annop.wongwathanarat@gmail.com> Co-authored-by: Annop Wongwathanarat <annop.wongwathanarat@arm.com> Co-authored-by: John W. Parent <45471568+johnwparent@users.noreply.github.com> Co-authored-by: Auriane R <48684432+aurianer@users.noreply.github.com> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by: Kai Torben Ohlhus <k.ohlhus@gmail.com> Co-authored-by: Vinícius <viniciusvgp@gmail.com> Co-authored-by: Matthieu Dorier <mdorier@anl.gov> Co-authored-by: renjithravindrankannath <94420380+renjithravindrankannath@users.noreply.github.com> Co-authored-by: iarspider <iarspider@gmail.com> Co-authored-by: Paul R. C. Kent <kentpr@ornl.gov> Co-authored-by: Brian Van Essen <vanessen1@llnl.gov> Co-authored-by: snehring <7978778+snehring@users.noreply.github.com> Co-authored-by: Cameron Stanavige <stanavige1@llnl.gov> Co-authored-by: Cody Balos <balos1@llnl.gov> Co-authored-by: Jack S. Hale <mail@jackhale.co.uk> Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com> Co-authored-by: Lucas Nesi <lucas31nesi@hotmail.com> Co-authored-by: Chris White <white238@llnl.gov> Co-authored-by: white238 <white238@users.noreply.github.com> Co-authored-by: Martin Pokorny <mpokorny@caltech.edu> Co-authored-by: Weiqun Zhang <WeiqunZhang@lbl.gov> Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com> Co-authored-by: Dom Heinzeller <dom.heinzeller@icloud.com>
2022-10-08New package: py-qudida (#33115)Jen Herting1-0/+24
* [py-qudida] New package * [@spackbot] updating style on behalf of qwertos Co-authored-by: qwertos <qwertos@users.noreply.github.com>
2022-10-08py-blis: fix environment settings (#32913)Qian Jianhua1-0/+4
2022-10-07Add checksum for py-jupyterlab-pygments 0.2.2 (#33081)iarspider1-1/+5
2022-10-07remove outdated comments (#33123)eugeneswalker1-8/+6
2022-10-07Add checksum for py-jupyter-core 4.11.1 (#33086)iarspider1-1/+4
2022-10-07autotools: extend patching of the libtool script (#30768)Sergey Kosukhin4-34/+208
* filter_file: introduce argument 'start_at' * autotools: extend patching of the libtool script * autotools: refactor _patch_usr_bin_file * autotools: improve readability of the filtering * autotools: keep the modification time of the configure scripts * autotools: do not try to patch directories * autotools: explain libtool patching for posterity Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com> Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
2022-10-07Add checksum for py-nbclient 0.6.7 (#33083)iarspider1-0/+1
2022-10-07e4s ci: add variorum (#33113)eugeneswalker1-1/+1
2022-10-07e4s ci: add h5bench (#33114)eugeneswalker1-1/+1
2022-10-07[brotli] added version 1.0.9 (#33107)Jen Herting1-0/+1
2022-10-07New package: py-pathml (#32566)Jen Herting1-0/+34
* [py-pathml Farber] Created package * [pathml Farber] Dependencies added * [py-pathml] Corrected dependency * [py-pathml] Added types * [py-pathml] depends on py-h5py * [py-pathml] py-opencv-contrib-python -> opencv+python3+contrib * [py-pathml] added spack import and fixed setuptools type * [py-pathml] update import * [py-pathml] opencv no longer has +contrib * [@spackbot] updating style on behalf of qwertos Co-authored-by: James A Zilberman <jazrc@rit.edu> Co-authored-by: qwertos <qwertos@users.noreply.github.com>
2022-10-07fixed and added mrnet versions (#33120)Gregory Lee1-1/+3
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