Commit graph

33666 commits

Author SHA1 Message Date
Fabien Bruneval
ad0b70a64a
MOLGW package: fix dependence to threaded MKL (#39028)
* molgw package.py

* molgw package.py almost ready

* bug fix in molgw package.py

* MOLGW v3.2

* black pass

* duplicated line eliminated

* remove FIXME in the header

* add me as a maintainer

* fix previous commit

* sort the imports in the order spack wants

* chop the too-long lines

* many fixes

- variants before dependences
- eliminate useless build and install stages
- no openmp with intel-mkl was broken

* after blackization

* cleaning

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

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>

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

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>

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

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>

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

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>

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

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>

* use threaded mkl when openmp is triggered

---------

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-07-28 08:30:27 -04:00
Matthias Wolf
b5444e4304
py-distributed: add missing tblib dependency. (#39123)
I noticed this as we run a `pip check` on all modules we generate. This
dependeny seems to have been around for a long time:

https://github.com/dask/distributed/blob/2020.12.0/requirements.txt#L8
https://github.com/dask/distributed/blob/2023.4.1/pyproject.toml#L39

While it does not seem essential, it would be nice to have consistent
installations by including the missing dependency.
2023-07-28 05:42:35 -04:00
Michael Kuhn
e1d5d34b56
gcc: add 13.2.0 (#39119) 2023-07-28 10:36:07 +02:00
Brian Van Essen
e5b4607548
Added support for building with Caliper (#39116) 2023-07-27 13:59:11 -07:00
Brian Van Essen
ecdd8e035c
Added the import of the regex package (#39117) 2023-07-27 13:53:40 -07:00
snehring
9d9e4a52f5
tecio: adding new package tecio (#39099) 2023-07-27 12:26:25 -07:00
Aiden Grossman
9e0629213c
lm-sensors: respect compiler choice (#38890)
Currently lm-sensors defaults to the compiler specified in the Makefile
(gcc) rather than the one specified in the spec. This patch appends the
CC flag to the make invocation with the spec compiler to fix this
behavior.
2023-07-27 19:58:21 +02:00
Matthieu Dorier
51fa4e5fc4
mochi-margo: added version 0.14.1 (#39110) 2023-07-27 10:17:08 -07:00
Sreenivasa Murthy Kolam
8908b7584e
Updates to rocm recipes for rocm-5.5.0 and rocm-5.5.1 releases (#37910)
* initial commit for rocm-5.5.0 release
* fix the hipsparse  build error for 5.5.0
* fix build error for amrex .add hiprand as a dependency
* modify the patch for rocprofiler-dev
* add hiprand for +rocm build
* initial commit for rocm-5.5.1 release
* bump up the version for rocm-5.5.1 release.
* bump up the version for rocmlir.miopen to use this backend only till 5.5
* add new recipe py-barectf and add it as dependency for rocprofiler-dev
* revert the changes for rocprofiler-dev for 5.5.0/1 for now as it depends
  on hsa-amdaqlprofile.so which is a closed source and no spack recipe is
  available for now.
* add rocm-core as dependency for rocm packages from 5.5.0 onwards
* avoid download of the gtest for building unit tests
2023-07-27 09:42:17 -07:00
Aiden Grossman
936c6045fc
ROCm packages: remove build type variants (#39089)
After #36679, the default build type is Release, so there is no need to
explicitly set the build type as a custom variant.
2023-07-27 08:08:59 +02:00
David Boehme
ca2e9cf090
Caliper: Add variorum variant (#39104) 2023-07-26 19:22:36 -04:00
Gerhard Theurich
288b3c3ec2
esmf: add v8.5.0 (#39100) 2023-07-26 16:08:03 -07:00
David Boehme
31bb259a12
Add Caliper v2.10.0 (#39103) 2023-07-26 16:05:08 -07:00
Konstantinos Parasyris
a74dd96773
Adds AMS package.py (#39083)
Co-authored-by: koparasy <parasyris1@llnl.com>
Co-authored-by: Loic Pottier <pottier1@llnl.gov>, Tom Stitt <stitt4@llnl.gov>
2023-07-26 15:59:38 -07:00
Matthieu Dorier
9594fb47e1
mruby: added mruby package (#39093)
* mruby: added mruby package
* mruby: replaced / with os.path.join
* mruby: improving style
* mruby: improving style again
2023-07-26 10:06:16 -07:00
Matt Drozt
62cfe1ab47
Create a package for the redis ai module (#39096) 2023-07-26 12:58:25 -04:00
Rob Falgout
8c417b3ccc
Update package.py for new hypre release 2.29.0 (#38537) 2023-07-26 11:57:30 -05:00
Gurkirat Singh
52c0127fc7
Implement odgi package (#39078)
* feature (packages): implement `odgi` package
  This commit re-implements odgi package (superseded by #38741)
* fix (packages): remove redundant `requires()` from odgi package
  This commit removes redundant use of `requires()` for gcc version in the `odgi` package
2023-07-26 09:38:41 -07:00
Scott Wittenburg
2c74b433aa
ci: Make signing requirement explicit (#38995)
Instead of inferring whether to sign binaries, make it explicit,
and fail rebuild jobs early if signing is required but cannot be
accomplished.
2023-07-26 09:16:15 -06:00
Aiden Grossman
8bdfaf4ae5
libelf: fix build with clang16+ (#38915)
libelf fails to build with clang16+ due to Wimplicit-int and
Wimplicit-function-declarations becoming errors by default. This breaks
the configuration stage, so no build takes place. This patch fixes this
by passing -Wno-error=implicit-int and
-Wno-error=implicit-function-declarations as cflags.
2023-07-26 16:46:37 +02:00
Aiden Grossman
eb19f59fb1
llvm: remove build type comment (#39087)
The message is now outdated after
https://github.com/spack/spack/pull/36679 which could lead to some
confusion.
2023-07-26 16:39:10 +02:00
Aiden Grossman
856834537a
gcoff: fix build with clang 16+ (#38914)
gcoff uses the register keyword in a couple different places which
causes errors when building with c++17, which is the default in clang
16. This patch adds the -Wno-register flag to ignore these errors when
when building with clang 16.
2023-07-26 16:34:07 +02:00
Aiden Grossman
fba019f0be
unzip: fix build with clang16+ (#38899)
Clang 16's change to erroring out by default on implicit function
declarations and implicit integers causes the build script for unzip to
break. Since this project hasn't had a release since 2010, we need to
patch it downstream/pass additional flags to get the build to succeed.
2023-07-26 16:33:48 +02:00
Aiden Grossman
cc0ac7093b
hdf: fix build with clang16+ (#38888)
With the release of clang 16, clang now treats implicit function
declarations and implicit integers as errors rather than warnings,
causing the build to fail. This patch adds flags to prevent build
failures.
2023-07-26 16:29:37 +02:00
Mikael Simberg
711d67090a
Add newer versions of mimalloc (#39091) 2023-07-26 13:42:24 +02:00
Ken Raffenetti
5ce667de6a
mpich: add 4.1.2 release (#39084) 2023-07-26 00:02:55 -04:00
Michael Kuhn
a77e6ea639
pmix: add 4.2.4 and disable munge explicitly (#39018) 2023-07-25 11:00:35 -07:00
fpruvost
3a661803ce
Update pastix v6.3.0 (#39076) 2023-07-25 09:23:44 -07:00
Alex Richert
c6ed2227f2
Add w3emc 2.10.0 and update variants, run env logic (#39075) 2023-07-25 09:22:03 -07:00
Bruno Turcksin
bd9f8ba094
Kokkos: add release 4.1.0 (#38641)
* Add Kokkos 4.1.0 release

* Add -fp-model=precise flag when using SYCL

* Fix sycl flag

Co-authored-by: Robert Cohn <rscohn2@gmail.com>

---------

Co-authored-by: Robert Cohn <rscohn2@gmail.com>
Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
2023-07-24 17:02:56 -07:00
Satish Balay
c7b849bdee
xsdk: remove version 0.6.0, also remove corresponding xsdk-examples@0.2.0 (#39000) 2023-07-24 16:24:56 -07:00
Sergey Kosukhin
3f4012cf44
netcdf-fortran: add version 4.6.1 and fix the checks (#39043)
* netcdf-fortran: add version 4.6.1
* netcdf-fortran: fix the 'check' method
2023-07-24 15:54:18 -07:00
Alec Scott
e3b2e5b2cd
bfs: add new package (#39057)
* bfs: add new package
* Remove redundant set to PREFIX during build
2023-07-24 15:50:27 -07:00
Matthieu Dorier
b2ed10dd83
quickjs: make Makefile use correct compiler (#39060)
* quickjs: make Makefile use correct compiler
* added lto variant and better handling of compilers
* quickjs: correct style
* quickjs: correct style for flake8
2023-07-24 15:45:21 -07:00
ajpowelsnl
1c3dc0bd5f
openmpi: add openshmem variant (#39067) 2023-07-24 15:38:38 -07:00
Briffou
f28a2ccee2
mgis: add new variant for static libraries (#38917)
Co-authored-by: Thomas Briffard <thomas.briffard@michelin.com>
2023-07-24 15:34:31 -07:00
Scott Wittenburg
12d86ffb6a
ci: fix stack mirror urls (#38882) 2023-07-24 20:20:08 +00:00
eugeneswalker
fde1954c13
mvapich2@2.3.7-1: add torque patch (#39027) 2023-07-24 12:56:32 -07:00
Jonathon Anderson
3ad65bbfc1
Always set workflow:rules in spack ci pipelines (#38921) 2023-07-24 14:31:39 -05:00
Chris White
f017f586df
add conflict for +parmetis when ~mpi (#39050) 2023-07-24 10:54:18 -07:00
Ashwin Kumar Karnad
399271832b
Fix typo: binary_caches.rst (#39064) 2023-07-24 15:09:34 +02:00
Harmen Stoppels
4bcceddba9
Don't add .spack/binary_distribution twice to the tarball when re-distributing (#39042)
Previously, spack would list the ./spack/binary_distribution file twice when pushing
a package that was installed from a binary tarball itself.
2023-07-24 14:39:37 +02:00
Harmen Stoppels
0fff219aa4
Fix broken sanitize_file_path (#38926)
The sanitization function is completely bogus as it tries to replace /
on unix after ... splitting on it. The way it's implemented is very
questionable: the input is a file name, not a path. It doesn't make
sense to interpret the input as a path and then make the components
valid -- you'll interpret / in a filename as a dir separator.

It also fails to deal with path components that contain just unsupported
characters (resulting in empty component).

The correct way to deal with this is to have a function that takes a
potential file name and replaces unsupported characters.

I'm not going to fix the other issues on Windows, such as reserved file
names, but left a note, and hope that @johnwparent can fix that
separately.

(Obviously we wouldn't have this problem at all if we just fixed the
filename in a safe way instead of trying to derive something from
the url; we could use the content digest when available for example)
2023-07-24 12:30:47 +02:00
Mosè Giordano
ac3c0a4347
mvapich2: Add patch to avoid segmentation fault in MPIR_Attr_delete_list (#39058) 2023-07-22 21:44:15 -07:00
Adam Fidel
cc2fa9895e
mtn: add mtn package (#39053) 2023-07-22 17:45:54 -07:00
Michael Kuhn
fb83c7112e
Fix pkgconfig dependencies (#39059)
pkg-config and pkgconf are providers.
2023-07-22 17:20:30 -07:00
Christopher Christofi
c811b71336
py-jaxlib: add conflict for missing cuda cuda_arch value (#39054)
* py-jaxlib: add conflict for missing cuda cuda_arch specification

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

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

* py-jaxlib: conflict missing cuda_arch value when with cuda

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

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-07-22 12:27:49 -04:00
eugeneswalker
366c798b87
e4s oneapi ci: build with latest 2023.2 based image (#39048) 2023-07-22 09:22:02 -07:00
百地 希留耶
90ac0ef66e
Implement fish completion (#29549)
* commands: provide more information to Command

* fish: Add script to generate fish completion

* fish: auto prepend `spack` command to avoid duplication

* fish: impove completion generation code readability

* commands: replace match-case with if-else

* fish: fix optspec variable name prefix

* fish: fix return value in get_optspecs

* fish: fix return value in get_optspecs

* format: split long line and trim trailing space

* bugfix: replace f-string with interpolation

* fish: compete more specs and some fixes

* fish: complete hash spec starts with /

* fish: improve compatibility

* style: trim trailing whitespace

* commands: add fish to update args and update tests

* commands: add fish completion file

* style: merge imports

* fish: source completion in setup-env

* fish: caret only completes dependencies

* fish: make sure we always get same order of output

* fish: spack activate
only show installed packages that have extensions

* fish: update completion file

* fish: make dict keys sorted

* Blacken code

* Fix bad merge

* Undo style changes to setup-env.fish

* Fix unit tests

* Style fix

* Compatible with fish_indent

* Use list for stability of order

* Sort one more place

* Sort more things

* Sorting unneeded

* Unsort

* Print difference

* Style fix

* Help messages need quotes

* Arguments to -a must be quoted

* Update types

* Update types

* Update types

* Add type hints

* Change order of positionals

* Always expand help

* Remove shared base class

* Fix type hints

* Remove platform-specific choices

* First line of help only

* Remove unused maps

* Remove suppress

* Remove debugging comments

* Better quoting

* Fish completions have no double dash

* Remove test for deleted class

* Fix grammar in header file

* Use single quotes in most places

* Better support for remainder nargs

* No magic strings

* * and + can also complete multiple

* lower case, no period

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-07-22 08:55:12 -05:00
Mark Olesen
66e85ae39a
openfoam: add versions 2306, 2212_230612 (patch), 2212 (#38694)
* openfoam: add versions 2306, 2212_230612 (patch), 2212

* Fix syntax error

---------

Co-authored-by: Mark Olesen <Mark.Olesen@esi-group.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-07-22 02:52:55 -04:00