Commit graph

28533 commits

Author SHA1 Message Date
Thomas Madlener
fc23b48804
podio, edm4hep: add latest versions (#33056) 2022-10-10 15:41:33 +02:00
iarspider
f915f9db32
py-luigi: add v3.1.1 (#33090) 2022-10-10 15:37:40 +02:00
Brian Vanderwende
27cf8dddec
shell prompt: enclose control sequence in brackets (#33079)
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
2022-10-10 07:29:58 -06:00
Adam J. Stewart
7cb745b03a
PythonPackage: fix libs/headers attributes (#32970) 2022-10-10 13:26:30 +00:00
iarspider
bfbd411091
Add checksum for py-lizard 1.17.10 (#33095) 2022-10-10 06:09:56 -06:00
Wouter Deconinck
2a43571a68
root: new variant webgui when +root7 (default True) (#33133)
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.
2022-10-10 11:13:35 +02:00
Yang Zongze
46239ea525
fixbug-ctags-5.8: general.h: missing binary operator before token "(" (#33135)
`__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'`
2022-10-10 10:24:54 +02:00
Adam J. Stewart
01ede3c595
Add CI stack for ML packages (#31592)
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>
2022-10-09 15:39:47 -07:00
iarspider
4a6aff8bd1
Add checksum for py-nest-asyncio 1.5.5 (#33080) 2022-10-09 16:25:58 -06:00
iarspider
5d8e97af2a
Add checksum for py-pycparser 2.21 (#32981) 2022-10-09 16:21:54 -06:00
iarspider
48f5f8eb17
Add checksum for py-br 5.10.0 (#33093) 2022-10-09 11:11:05 -06:00
iarspider
01a54dd616
Add checksum for py-hep-ml 0.7.1 (#33091) 2022-10-09 11:10:43 -06:00
iarspider
e5414ed9cc
Add checksum for py-python-daemon 2.3.1 (#33092) 2022-10-09 11:10:24 -06:00
iarspider
20453622a0
Add checksum for py-law 0.1.7 (#33089) 2022-10-09 11:10:12 -06:00
Sergey Kosukhin
4a3e3807a3
py-eccodes: fix environment variables (#32807) 2022-10-09 11:09:57 -06:00
Sergey Kosukhin
c60dffaea7
py-cdo: add version 1.5.6, deprecate 1.3.2 (#32793)
* py-cdo: add version 1.5.6

* py-cdo: make python run depdendencies also the build ones

* py-cdo: restrict Python version
2022-10-09 11:38:54 -05:00
Axel Huebl
17898a61dd
py-cupy: 11.2 (#33076)
* 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
2022-10-09 10:38:04 -06:00
iarspider
2d28274387
Add checksum for py-pybind11 2.10.0 (#32971) 2022-10-09 11:17:20 -05:00
iarspider
918ed5f328
Add checksum for py-scikit-build 0.15.0 and use sources from pypi (#32954)
* 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>
2022-10-09 11:17:07 -05:00
iarspider
6f79dc654c
Add checksum for py-terminado 0.15.0 (#33085)
* 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>
2022-10-09 11:13:19 -05:00
Luke Diorio-Toth
6c2df00443
new packages (py-metaphlan, py-hclust2, iqtree2) + updates to others (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>
2022-10-08 16:57:45 -06:00
Jen Herting
3146f9309c
New package: py-qudida (#33115)
* [py-qudida] New package

* [@spackbot] updating style on behalf of qwertos

Co-authored-by: qwertos <qwertos@users.noreply.github.com>
2022-10-08 11:37:50 -06:00
Qian Jianhua
c1440aaa17
py-blis: fix environment settings (#32913) 2022-10-08 01:20:51 -05:00
iarspider
5ca32d82e4
Add checksum for py-jupyterlab-pygments 0.2.2 (#33081) 2022-10-07 22:06:15 -06:00
eugeneswalker
dfbeaff8ae
remove outdated comments (#33123) 2022-10-07 19:47:57 -07:00
iarspider
8309ae08d1
Add checksum for py-jupyter-core 4.11.1 (#33086) 2022-10-07 16:06:11 -06:00
Sergey Kosukhin
4bc8f66388
autotools: extend patching of the libtool script (#30768)
* 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>
2022-10-07 22:04:44 +00:00
iarspider
8a5790514d
Add checksum for py-nbclient 0.6.7 (#33083) 2022-10-07 15:58:03 -06:00
eugeneswalker
01e7b89b53
e4s ci: add variorum (#33113) 2022-10-07 14:52:30 -07:00
eugeneswalker
041c1486f8
e4s ci: add h5bench (#33114) 2022-10-07 14:52:08 -07:00
Jen Herting
cbc224852b
[brotli] added version 1.0.9 (#33107) 2022-10-07 15:33:07 -06:00
Jen Herting
5560bbf97e
New package: py-pathml (#32566)
* [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>
2022-10-07 15:32:43 -06:00
Gregory Lee
b3cfcebf94
fixed and added mrnet versions (#33120) 2022-10-07 14:25:53 -06:00
iarspider
f3027fb561
Add checksum for py-onnxmltools 1.11.0 (#33104)
* Add checksum for py-onnxmltools 1.11.0

* Add checksum for py-onnxmltools 1.11.0

* Fix patch name

* Update var/spack/repos/builtin/packages/py-onnx-runtime/package.py

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2022-10-07 14:05:52 -05:00
iarspider
af4134dd48
Add checksum for py-pkginfo 1.8.3 (#33094)
* Add checksum for py-pkginfo 1.8.3

* Update var/spack/repos/builtin/packages/py-pkginfo/package.py

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2022-10-07 13:02:13 -06:00
iarspider
3270df735f
Add checksum for py-markdown 3.4.1 (#33098)
* Add checksum for py-markdown 3.4.1

* Update package.py
2022-10-07 13:01:54 -06:00
Laurent Aphecetche
a2d7776c95
pythia6: set CMAKE_MACOSX_RPATH=True to build on macos (#33082) 2022-10-07 11:53:41 -07:00
iarspider
a4651a2a02
Add checksum for py-pathlib2 2.3.7.poast1 (#33105)
* Add checksum for py-pathlib2 2.3.7.poast1

* [@spackbot] updating style on behalf of iarspider

Co-authored-by: iarspider <iarspider@users.noreply.github.com>
2022-10-07 13:47:26 -05:00
iarspider
910cf7fe7b
Add checksum for py-python-ldap 3.4.2 (#33106) 2022-10-07 13:46:09 -05:00
iarspider
fb0d8cd151
Add checksum for py-networkx 2.8.6, py-pygraphviz 1.10 (#33102)
* Add checksum for py-networkx 2.8.6, py-pygraphviz 1.10

* [@spackbot] updating style on behalf of iarspider

Co-authored-by: iarspider <iarspider@users.noreply.github.com>
2022-10-07 13:39:56 -05:00
iarspider
c5e3ec8b1f
Add checksum for py-mplhep 0.3.26 (#33101) 2022-10-07 13:37:17 -05:00
iarspider
e81ecae3b5
Add checksum for py-more-itertools 8.14.0 (#33100) 2022-10-07 13:36:11 -05:00
iarspider
ce7461a783
Add checksum for py-lz4 4.0.2 (#33097) 2022-10-07 13:32:34 -05:00
iarspider
f141f806e9
Add checksum for py-llvmlite 0.38.1 (#33096) 2022-10-07 13:31:31 -05:00
iarspider
3968263bf6
Add checksum for py-jupyter-console 6.4.4 (#33088) 2022-10-07 12:54:58 -05:00
iarspider
9de9d2f65b
Add checksum for py-jsonpickle 2.2.0 (#33087) 2022-10-07 12:53:44 -05:00
Adam J. Stewart
163242bd6e
py-black: add v22.10.0 (#33077) 2022-10-07 10:33:04 -07:00
eugeneswalker
35bc158387
e4s ci: add quantum-espresso (#33075) 2022-10-07 08:38:10 -07:00
Auriane R
39fe4371fa
Rename p2300 to stdexec (#33099)
* Rename p2300 package after renaming PR merged in stdexec

https://github.com/NVIDIA/stdexec/pull/622

* Adapt pika to depend on stdexec
2022-10-07 14:54:05 +02:00
Paul Kuberry
2346544e6f
trilinos and xyce: fix fortran library handling (#33033)
* trilinos and xyce: fix fortran library handling

xyce:
  - add pymi_static_blas variant and logic
    handles blas and hdf5 conflicts for Xyce-PyMi
  - make +isorropia and +zoltan conditional on mpi

* xyce: clean up CMake options

* xyce: change pymi_static_blas to pymi_static_tpls

* xyce: made pymi_static_tpls only when +pymi
2022-10-07 06:47:26 -04:00