Commit graph

32099 commits

Author SHA1 Message Date
Alec Scott
4296db794f
rdkit: add v2023_03_1 (#37529) 2023-05-18 15:05:07 -07:00
H. Joe Lee
9ab9302409
py-jarvis-util: add a new package (#37729)
* py-jarvis-util: add a new package

* Apply suggestions from code review

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-05-18 17:28:59 -04:00
Benjamin Meyers
0187376e54
Update py-nltk (#37703)
* Update py-nltk

* [@spackbot] updating style on behalf of meyersbs

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

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-05-18 17:14:20 -04:00
Aditya Bhamidipati
7340d2cb83
update package nccl version 2.17, 2.18 (#37721) 2023-05-18 15:47:01 -05:00
Benjamin Meyers
641d4477d5
New package py-tensorly (#37705) 2023-05-18 15:38:23 -05:00
Benjamin Meyers
3ff2fb69af
New package py-scikit-tensor-py3 (#37706) 2023-05-18 15:37:43 -05:00
vucoda
e3024b1bcb
Update py-jedi 0.17.2 checksum in package.py (#37700)
Pypi for jedi-0.17.2.tar.gz does not match the package.py file.

https://pypi.org/project/jedi/0.17.2/#copy-hash-modal-60e943e3-1192-4b12-90e2-4d639cb5b4f7
2023-05-18 15:15:47 -05:00
Dom Heinzeller
e733b87865
Remove references to gmake executable, only use make (#37280) 2023-05-18 19:03:03 +00:00
Victor Lopez Herrero
919985dc1b
dlb: add v3.3.1 (#37759) 2023-05-18 10:29:41 -07:00
Michael Kuhn
d746f7d427
harfbuzz: add 7.3.0 (#37753)
Do not prefer 5.3.1 anymore since it does not build with newer compilers. Linux distributions have also moved to 6.x and newer.
2023-05-18 10:27:48 -07:00
kaanolgu
b6deab515b
[babelstream] FIX: maintainers list missing a comma (#37761) 2023-05-18 10:25:04 -07:00
Glenn Johnson
848220c4ba
update R: add version 4.3.0 (#37090) 2023-05-18 10:13:28 -07:00
Glenn Johnson
98462bd27e
Cran updates (#37296)
* add version 1.28.3 to r-hexbin
* add version 5.0-1 to r-hmisc
* add version 0.5.5 to r-htmltools
* add version 1.6.2 to r-htmlwidgets
* add version 1.4.2 to r-igraph
* add version 0.42.19 to r-imager
* add version 1.0-5 to r-inum
* add version 0.9-14 to r-ipred
* add version 1.3.2 to r-irkernel
* add version 2.2.0 to r-janitor
* add version 0.1-10 to r-jpeg
* add version 1.2.2 to r-jsonify
* add version 0.9-32 to r-kernlab
* add version 1.7-2 to r-klar
* add version 1.42 to r-knitr
* add version 1.14.0 to r-ks
* add version 2.11.0 to r-labelled
* add version 1.7.2.1 to r-lava
* add version 0.6-15 to r-lavaan
* add version 2.1.2 to r-leaflet
* add version 2.9-0 to r-lfe
* add version 1.1.6 to r-lhs
* add version 1.1-33 to r-lme4
* add version 1.5-9.7 to r-locfit
* add version 0.4.3 to r-log4r
* add version 5.6.18 to r-lpsolve
* add version 0.2-11 to r-lwgeom
* add version 2.7.4 to r-magick
* add version 1.22.1 to r-maldiquant
* add version 1.2.11 to r-mapproj
* add version 1.6 to r-markdown
* add version 7.3-59 to r-mass
* add version 1.5-4 to r-matrix
* add version 0.63.0 to r-matrixstats
* add version 4.2-3 to r-memuse
* add version 4.0-0 to r-metafor
* add version 1.8-42 to r-mgcv
* add version 3.15.0 to r-mice
* add version 0.4-5 to r-mitml
* add version 2.0.0 to r-mixtools
* add version 0.1.11 to r-modelr
* add version 1.4-23 to r-multcomp
* add version 0.1-9 to r-multcompview
* add version 0.1-13 to r-mutoss
* add version 1.18.1 to r-network
* add version 3.3.4 to r-nleqslv
* add version 3.1-162 to r-nlme
* add version 0.26 to r-nmf
* add version 0.60-17 to r-np
* add version 4.2.5.2 to r-openxlsx
* add version 2022.11-16 to r-ordinal
* add version 0.6.0.8 to r-osqp
* add version 0.9.1 to r-packrat
* add version 1.35.0 to r-parallelly
* add version 1.3-13 to r-party
* add version 1.2-20 to r-partykit
* add version 1.7-0 to r-pbapply
* add version 0.3-9 to r-pbdzmq
* add version 1.2 to r-pegas
* add version 1.5-1 to r-phytools
* add version 1.9.0 to r-pillar
* add version 1.4.0 to r-pkgbuild
* add version 2.1.0 to r-pkgcache
* add version 0.5.0 to r-pkgdepends
* add version 2.0.7 to r-pkgdown
* add version 1.3.2 to r-pkgload
* add version 0.1-8 to r-png
* add version 1.1.22 to r-polspline
* add version 1.0.1 to r-pool
* add version 1.4.1 to r-posterior
* add version 3.8.1 to r-processx
* add version 2023.03.31 to r-prodlim
* add version 1.0-12 to r-proj4
* add version 2.5.0 to r-projpred
* add version 0.1.6 to r-pryr
* add version 1.7.5 to r-ps
* add version 1.0.1 to r-purrr
* add version 1.3.2 to r-qqconf
* add version 0.25.5 to r-qs
* add version 1.60 to r-qtl
* add version 0.4.22 to r-quantmod
* add version 5.95 to r-quantreg
* add version 0.7.8 to r-questionr
* add version 1.2.5 to r-ragg
* add version 0.15.1 to r-ranger
* add version 3.6-20 to r-raster
* add version 2.2.13 to r-rbibutils
* add version 1.0.10 to r-rcpp
* add version 0.12.2.0.0 to r-rcpparmadillo
* add version 0.1.7 to r-rcppde
* add version 0.3.13 to r-rcppgsl
* add version 1.98-1.12 to r-rcurl
* add version 1.2-1 to r-rda
* add version 2.1.4 to r-readr
* add version 1.4.2 to r-readxl
* add version 1.0.6 to r-recipes
* add version 1.1.6 to r-repr
* add version 1.2.16 to r-reproducible
* add version 0.3.0 to r-require
* add version 1.28 to r-reticulate
* add version 2.0.7 to r-rfast
* add version 1.6-6 to r-rgdal
* add version 0.6-2 to r-rgeos
* add version 1.1.3 to r-rgl
* add version 0.2.18 to r-rinside
* add version 4-14 to r-rjags
* add version 1.3-1.8 to r-rjsonio
* add version 2.21 to r-rmarkdown
* add version 0.9-2 to r-rmpfr
* add version 0.7-1 to r-rmpi
* add version 6.6-0 to r-rms
* add version 0.10.25 to r-rmysql
* add version 0.8.7 to r-rncl
* add version 2.4.11 to r-rnexml
* add version 0.95-1 to r-robustbase
* add version 1.3-20 to r-rodbc
* add version 7.2.3 to r-roxygen2
* add version 1.4.5 to r-rpostgres
* add version 0.7-5 to r-rpostgresql
* add version 0.8.29 to r-rsconnect
* add version 0.4-15 to r-rsnns
* add version 2.3.1 to r-rsqlite
* add version 0.7.2 to r-rstatix
* add version 1.1.2 to r-s2
* add version 0.4.5 to r-sass
* add version 0.1.9 to r-scatterpie
* add version 0.3-43 to r-scatterplot3d
* add version 3.2.4 to r-scs
* add version 1.6-4 to r-segmented
* add version 4.2-30 to r-seqinr
* add version 0.26 to r-servr
* add version 4.3.0 to r-seurat
* add version 1.0-12 to r-sf
* add version 0.4.2 to r-sfheaders
* add version 1.1-15 to r-sfsmisc
* add version 1.7.4 to r-shiny
* add version 1.9.0 to r-signac
* add version 1.6.0.3 to r-smoof
* add version 0.1.7-1 to r-sourcetools
* add version 1.6-0 to r-sp
* add version 1.3-0 to r-spacetime
* add version 7.3-16 to r-spatial
* add version 2.0-0 to r-spatialeco
* add version 1.2-8 to r-spatialreg
* add version 3.0-5 to r-spatstat
* add version 3.0-1 to r-spatstat-data
* add version 3.1-0 to r-spatstat-explore
* add version 3.1-0 to r-spatstat-geom
* add version 3.1-0 to r-spatstat-linnet
* add version 3.1-4 to r-spatstat-random
* add version 3.0-1 to r-spatstat-sparse
* add version 3.0-2 to r-spatstat-utils
* add version 2.2.2 to r-spdata
* add version 1.2-8 to r-spdep
* add version 0.6-1 to r-stars
* add version 1.5.0 to r-statmod
* add version 4.8.0 to r-statnet-common
* add version 1.7.12 to r-stringi
* add version 1.5.0 to r-stringr
* add version 1.9.1 to r-styler
* add version 3.5-5 to r-survival
* add version 1.5-4 to r-tclust
* add version 1.7-29 to r-terra
* add version 3.1.7 to r-testthat
* add version 1.1-2 to r-th-data
* add version 1.2 to r-tictoc
* add version 1.3.2 to r-tidycensus
* add version 1.2.3 to r-tidygraph
* add version 1.3.0 to r-tidyr
* add version 2.0.0 to r-tidyverse
* add version 0.2.0 to r-timechange
* add version 0.45 to r-tinytex
* add version 0.4.1 to r-triebeard
* add version 1.0-9 to r-truncnorm
* add version 0.10-53 to r-tseries
* add version 0.8-1 to r-units
* add version 4.3.0 to r-v8
* add version 1.4-11 to r-vcd
* add version 1.14.0 to r-vcfr
* add version 0.6.2 to r-vctrs
* add version 1.1-8 to r-vgam
* add version 0.4.0 to r-vioplot
* add version 1.6.1 to r-vroom
* add version 1.72-1 to r-wgcna
* add version 0.4.1 to r-whisker
* add version 0.7.2 to r-wk
* add version 0.39 to r-xfun
* add version 1.7.5.1 to r-xgboost
* add version 1.0.7 to r-xlconnect
* add version 3.99-0.14 to r-xml
* add version 0.13.1 to r-xts
* add version 2.3.7 to r-yaml
* add version 2.3.0 to r-zip
* add version 1.8-12 to r-zoo
* r-bigmem: dependency on uuid
* r-bio3d: dependency on zlib
* r-devtools: dependency cleanup
* r-dose: dependency cleanup
* r-dss: dependency cleanup
* r-enrichplot: dependency cleanup
* r-fgsea: dependency cleanup
* r-geor: dependency cleanup
* r-ggridges: dependency cleanup
* r-lobstr: dependency cleanup
* r-lubridate: dependency cleanup
* r-mnormt: dependency cleanup
* r-sctransform: version format correction
* r-seuratobject: dependency cleanup
* r-tidyselect: dependency cleanup
* r-tweenr: dependency cleanup
* r-uwot: dependency cleanup
* new package: r-clock
* new package: r-conflicted
* new package: r-diagram
* new package: r-doby
* new package: r-httr2
* new package: r-kableextra
* new package: r-mclogit
* new package: r-memisc
* new package: r-spatstat-model
* r-rmysql: use mariadb-client
* r-snpstats: add zlib dependency
* r-qs: add zstd dependency
* r-rcppcnpy: add zlib dependency
* black reformatting
* Revert "r-dose: dependency cleanup"
  This reverts commit 4c8ae8f5615ee124fff01ce43eddd3bb5d06b9bc.
* Revert "r-dss: dependency cleanup"
  This reverts commit a6c5c15c617a9a688fdcfe2b70c501c3520d4706.
* Revert "r-enrichplot: dependency cleanup"
  This reverts commit 65e116c18a94d885bc1a0ae667c1ef07d1fe5231.
* Revert "r-fgsea: dependency cleanup"
  This reverts commit ffe2cdcd1f73f69d66167b941970ede0281b56d7.
* r-rda: this package is back in CRAN
* r-sctransform: fix copyright
* r-seurat: fix copyright
* r-seuratobject: fix copyright
* Revert "add version 6.0-94 to r-caret"
  This reverts commit 236260597de97a800bfc699aec1cd1d0e3d1ac60.
* add version 6.0-94 to r-caret
* Revert "add version 1.8.5 to r-emmeans"
  This reverts commit 64a129beb0bd88d5c88fab564cade16c03b956ec.
* add version 1.8.5 to r-emmeans
* Revert "add version 5.0-1 to r-hmisc"
  This reverts commit 517643f4fd8793747365dfcfc264b894d2f783bd.
* add version 5.0-1 to r-hmisc
* Revert "add version 1.42 to r-knitr"
  This reverts commit 2a0d9a4c1f0ba173f7423fed59ba725bac902c37.
* add version 1.42 to r-knitr
* Revert "add version 1.6 to r-markdown"
  This reverts commit 4b5565844b5704559b819d2e775fe8dec625af99.
* add version 1.6 to r-markdown
* Revert "add version 0.26 to r-nmf"
  This reverts commit 4c44a788b17848f2cda67b32312a342c0261caec.
* add version 0.26 to r-nmf
* Revert "add version 2.3.1 to r-rsqlite"
  This reverts commit 5722ee2297276e4db8beee461d39014b0b17e420.
* add version 2.3.1 to r-rsqlite
* Revert "add version 1.0-12 to r-sf"
  This reverts commit ee1734fd62cc02ca7a9359a87ed734f190575f69.
* add version 1.0-12 to r-sf
* fix syntax error
2023-05-18 09:57:43 -07:00
Cameron Stanavige
2e2515266d
unifyfs: new v1.1 release (#37756)
Add v1.1 release
Update mochi-margo dependency compatible versions
Update version range of libfabric conflict
2023-05-18 09:42:27 -07:00
Chris Green
776ab13276
[xrootd] New variants, new version, improve build config (#37682)
* Add FNAL Spack team to maintainers

* New variants and configuration improvements

* Version dependent "no-systemd" patches.

* New variants `client_only`, and `davix`

* Better handling of `cxxstd` for different versions, including
  improved patching and CMake options.

* Version-specific CMake requirements.

* Better version-specific handling of `openssl` dependency.

* `py-setuptools` required for `+python` build.

* Specific enable/disable of CMake options and use of
  `-DFORCE_ENABLED=TRUE` to prevent unwanted/non-portable activation
  of features.

* Better handling of `+python` configuration.

* New version 5.5.5
2023-05-18 10:49:18 -05:00
Massimiliano Culpo
c2ce9a6d93
Bump Spack version on develop to 0.21.0.dev0 (#37760) 2023-05-18 12:47:55 +02:00
Peter Scheibel
4e3ed56dfa
Bugfix: allow preferred new versions from externals (#37747) 2023-05-18 09:40:26 +02:00
Tamara Dahlgren
dcfcc03497
maintainers: switch from list to directive (#37752) 2023-05-17 22:25:57 +00:00
Stephen Sachs
125c20bc06
Add aws-plcuster[-aarch64] stacks (#37627)
Add aws-plcuster[-aarch64] stacks.  These stacks build packages defined in
https://github.com/spack/spack-configs/tree/main/AWS/parallelcluster

They use a custom container from https://github.com/spack/gitlab-runners which
includes necessary ParallelCluster software to link and build as well as an
upstream spack installation with current GCC and dependencies.

Intel and ARM software is installed and used during the build stage but removed
from the buildcache before the signing stage.

Files `configs/linux/{arch}/ci.yaml` select the necessary providers in order to
build for specific architectures (icelake, skylake, neoverse_{n,v}1).
2023-05-17 16:21:10 -06:00
Brian Van Essen
f7696a4480
Added version 1.3.1 (#37735) 2023-05-17 14:51:02 -07:00
Harmen Stoppels
a5d7667cb6
lmod: fix build, bump patch version (#37744) 2023-05-17 13:18:02 -04:00
Massimiliano Culpo
d45818ccff
Limit deepcopy to just the initial "all" section (#37718)
Modifications:
- [x] Limit the scope of the deepcopy when initializing module file writers
2023-05-17 10:17:41 -07:00
Scott Wittenburg
bcb7af6eb3
gitlab ci: no copy-only pipelines w/ deprecated config (#37720)
Make it clear that copy-only pipelines are not supported while still
using the deprecated ci config format. Also ensure that the deprecated
stack does not fail on spack pipelines for tags.
2023-05-17 09:46:30 -06:00
Juan Miguel Carceller
f438fb6c79
whizard: build newer versions in parallel (#37422) 2023-05-17 17:15:50 +02:00
Harmen Stoppels
371a8a361a
libxcb: depend on python, remove releases that need python 2 (#37698) 2023-05-17 17:05:30 +02:00
Tamara Dahlgren
86b9ce1c88
spack test: fix stand-alone test suite status reporting (#37602)
* Fix reporting of packageless specs as having no tests

* Add test_test_output_multiple_specs with update to simple-standalone-test (and tests)

* Refactored test status summary; added more tests or checks
2023-05-17 16:03:21 +02:00
Seth R. Johnson
05232034f5
celeritas: new version 0.2.2 (#37731)
* celeritas: new version 0.2.2

* [@spackbot] updating style on behalf of sethrj
2023-05-17 05:38:09 -04:00
Peter Scheibel
7a3da0f606
Tk/Tcl packages: speed up file search (#35902) 2023-05-17 09:27:05 +02:00
Yoshiaki Senda
d96406a161
Add recently added Spack Docker Images to documentation (#37732)
Signed-off-by: Yoshiaki Senda <yoshiaki@live.it>
2023-05-17 08:48:27 +02:00
Tamara Dahlgren
ffa5962356
emacs: convert to new stand-alone test process (#37725) 2023-05-17 00:25:35 -04:00
Massimiliano Culpo
67e74da3ba
Fix spack find not able to display version ranges in compilers (#37715) 2023-05-17 00:24:38 -04:00
Chris Green
9ee2d79de1
libxpm package: fix RHEL8 build with libintl (#37713)
Set LDFLAGS rather than LDLIBS
2023-05-16 13:32:26 -05:00
John W. Parent
79e4a13eee
Windows: fix MSVC version handling (#37711)
MSVC compiler logic was using string parsing to extract version
from compiler spec, which was fragile. This broke in #37572, so has
been fixed and made more robust by using attribute access.
2023-05-16 11:00:55 -07:00
kwryankrattiger
4627438373
CI: Expand E4S ROCm stack to include missing DaV packages (#36843)
* CI: Expand E4S ROCm stack to include missing DaV packages

Ascent: Fixup for VTK-m with Kokkos backend

* DaV SDK: Removed duplicated openmp variant for ascent

* Drop visit and add conflict for Kokkos

* E4S: Drop ascent from CUDA builds
2023-05-16 09:34:52 -05:00
Harmen Stoppels
badaaf7092
gha rhel8-platform-python: configure git safe.directory (#37708) 2023-05-16 16:31:13 +02:00
Harmen Stoppels
815ac000cc
Revert "hdf5: fix showconfig (#34920)" (#37707)
This reverts commit 192e564e26.
2023-05-16 15:57:15 +02:00
Peter Scheibel
7bc5b26c52
Requirements and preferences should not define (non-git) versions (#37687)
Ensure that requirements `packages:*:require:@x` and preferences `packages:*:version:[x]`
fail concretization when no version defined in the package satisfies `x`. This always holds
except for git versions -- they are defined on the fly.
2023-05-16 15:45:11 +02:00
Harmen Stoppels
a0e7ca94b2
gha bootstrap-dev-rhel8: configure git safe.directory (#37702)
git has been updated to something more recent
2023-05-16 15:21:42 +02:00
Harmen Stoppels
e56c90d839
check_modules_set_name: do not check for "enable" key (#37701) 2023-05-16 11:51:52 +02:00
Ye Luo
54003d4d72
Update llvm recipe regarding libomptarget. (#36675) 2023-05-16 11:20:02 +02:00
QuellynSnead
c47b554fa1
libxcb/xcb-proto: Enable internal Python dependency (#37575)
In the past, Spack did not allow two different versions of the
same package within a DAG. That led to difficulties with packages
that still required Python 2 while other packages had already
switched to Python 3.

The libxcb and xcb-proto packages did not have Python 3 support
for a time. To get around this issue, Spack maintainers disabled
their dependency on an internal (i.e., Spack-provided) Python
(see #4145),forcing these packages to look for a system-provided
Python (see #7646).

This has worked for us all right, but with the arrival of our most
recent platform we seem to be missing the critical xcbgen Python
module on the system. Since most software has largely moved on to
Python 3 now, let's re-enable internal Spack dependencies for the
libxcb and xcb-proto packages.
2023-05-16 10:00:01 +02:00
Mikael Simberg
b027f64a7f
Add conflict for pika with fmt@10 and +cuda/rocm (#37679) 2023-05-16 09:24:02 +02:00
Greg Becker
3765a5f7f8
unify: when_possible and unify: true -- Bugfix for error in 37438 (#37681)
Two bugs came in from #37438

1. `unify: when_possible` was broken, because of an incorrect assertion. abstract/concrete
   spec pairs were compared against the results that were in the process of being computed,
   rather than against the previous results.
2. `unify: true` had an ordering bug that could mix the association between abstract and
   concrete specs

- [x] 1 is resolved by creating a lookup from old concrete specs to old abstract specs,
      and we use that to associate the "new" concrete specs that happen to be the old
      ones with their abstract specs (since those are stripped out for concretization
- [x] 2 is resolved by combining the new and old abstract as lists instead of combining
      them as sets. This is important because `set() | set()` does not make any ordering
      promises, even though set ordering is otherwise guaranteed in `python@3.7:`
2023-05-16 01:08:34 -04:00
Robert Blake
690661eadd
Upgrading kosh to 3.0 (#37471)
* Upgrading kosh to 3.0.

* Accidentally regressed the package, changing back.

* Updating py-hdbscan versions for kosh.

* Fixing bug in patch.

* Adding 3.0.1

* Removing 3.0.

* Updating package deps for hdbscan to match requirements.txt.

* Version reqs for 3.0.*, need newer numpy and networkx

* spack style

* Reordering to match setup.py, adding "type" to python depends.
2023-05-16 01:08:20 -04:00
eugeneswalker
f7bbc326e4
trilinos: @develop fixes (#37615)
* trilinos@develop fixes

* Update var/spack/repos/builtin/packages/trilinos/package.py

Co-authored-by: Seth R. Johnson <johnsonsr@ornl.gov>

---------

Co-authored-by: Seth R. Johnson <johnsonsr@ornl.gov>
2023-05-15 17:25:14 -07:00
Scott Wittenburg
a184bfc1a6
gitlab ci: reduce job name length of build_systems pipeline (#37686) 2023-05-16 00:26:37 +02:00
Alec Scott
81634440fb
circos: add v0.69-9 (#37479) 2023-05-15 14:43:44 -07:00
Alec Scott
711d7683ac
alluxio: add v2.9.3 (#37488) 2023-05-15 14:42:48 -07:00
Alec Scott
967356bcf5
codec2: add v1.1.0 (#37480) 2023-05-15 14:42:08 -07:00
Alec Scott
c006ed034a
coinutils: add v2.11.9 (#37481) 2023-05-15 14:41:25 -07:00