Commit graph

35421 commits

Author SHA1 Message Date
Maciej Wójcik
0e2a9fe26a
py-py-tes: add new package (#42531)
* py-py-tes: add new package

* py-py-tes: add constraint on Python
2024-02-13 10:31:11 -07:00
George Young
d1e01d5646
khmer: new package @2.1.1 (#42450)
* khmer: new package @2.1.1

* rationalising patch

* adding dep, modifying patch

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

Indeed!

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

* Update package.py

---------

Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-02-13 10:02:44 -07:00
George Young
7b04910f84
possvm: new package @1.2 (#42516)
* possvm: new package @1.2

* black!

* appeasing flake8

* Updating commit ID

* Adding graphing dep

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

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

* Update package.py

---------

Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-02-13 09:49:36 -07:00
Maciej Wójcik
0664a2cdb2
py-pysftp: add new package (#42525)
* py-pysftp: add new package

* py-pysftp: correct version

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-02-13 09:49:14 -07:00
Jeremy Fix
fc38fe1c69
Adds the spack recipe for building the pynpm python package (#42582)
* Adds the spack recipe for building the pynpm python package

* fix license header

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

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-02-13 09:42:11 -07:00
George Young
29cb1d0ce0
cellpose: new package @2.2.3 (#42403)
* py-fastremap: new package @1.14.1

* py-pyqtgraph: new package @0.13.3

* py-roifile: new package @2024.1.10

* py-superqt: new package @0.6.1

* cellpose: new package @2.2.3

* Appeasing black ...

* Dropping the cuda variant

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

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

* Adding python version dependency

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

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

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

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

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

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

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

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

* Adding missing dep & conflict

* Appeasing black

* Adding missing py- prefix for dep

* Switching over to py-pyqt6

* Switching over to py-pyqt6

---------

Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-02-13 10:08:41 -06:00
Dani
ce777e3c89
py-biobb-structure-checking: new package (#42580)
* new builtin package: py-biobb-structure-checking

* Update var/spack/repos/builtin/packages/py-biobb-structure-checking/package.py

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

* dependencies are also build dependencies

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-02-13 10:05:37 -06:00
Dani
bd44cedd0d
new builtin package: py-biobb-io (#42451)
* new builtin package: py-biobb-io

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

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-02-13 10:03:42 -06:00
Dani
316a9a5d11
py-biobb-gromacs: add new package (#42579)
* new builtin package: py-biobb-gromacs

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

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

* added setuptools dependency

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2024-02-13 10:03:06 -06:00
Harmen Stoppels
4a04989bbb
PythonExtension.add_files_to_view: link non-executable/non-shebang regular files (#42641) 2024-02-13 12:55:37 +01:00
Jordan Ogas
2c4b529896
squashfuse: add versions (#42589) 2024-02-13 09:03:49 +01:00
Henri Menke
e37c099ddb
clfft: workaround compiler error (#42519) 2024-02-13 00:10:51 -07:00
George Young
4d7898a669
psipred: new package @4.02 (#42529)
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2024-02-12 18:20:33 -08:00
Sreenivasa Murthy Kolam
91b0528abf
ROCm packages and dependents: add 6.0.2 release (#42544)
* Bump up the version for rocm-6.0.2 release
* extend the patches that were created for apps for rocm-6.0.0 and rocm-6.0.2 releases
  (but apply hipfft patch for only 6.0.0)
2024-02-12 17:54:33 -08:00
Zack Galbreath
8ee3073350
More updates for GitLab CI memory requests (#42425)
* gitlab: remove requests for unreferenced packages

The packages removed in this commit are not built by any of
our current GitLab CI stacks.

* gitlab: update memory requests for "huge" packages

* gitlab: reduce memory requests for overprovisioned packages

* gitlab: more memory for py-torch (again)

* gitlab: update memory but keep CPU the same
2024-02-12 16:41:56 -06:00
Massimiliano Culpo
cb3c014a43
audit: detect self-referential depends_on (#42456) 2024-02-12 21:56:06 +01:00
Victoria Cherkas
2a01e9679a
Adds latest releases of eccodes/eckit/metkit (#42618) 2024-02-12 13:41:15 -07:00
Harmen Stoppels
519deac544
Fix multiple issues with Python in views (#42601)
This fixes bugs, performance issues, and removes no longer necessary code.

Short version:

1. Creating views from Python extensions would error if the Spack `opt` dir itself was in some symlinked directory. Use of `realpath` would expand those, and keying into `merge_map` would fail.
2. Creating views from Python extensions (and Python itself, potentially) could fail if the `bin/` dir contains symlinks pointing outside the package prefix -- Spack keyed into `merge_map[target_of_symlink]` incorrectly.
3. In the `python` package the `remove_files_from_view` function was broken after a breaking API change two years ago (#24355). However, the entire function body was redundant anyways, so solved it by removing it.
4. Notions of "global view" (i.e. python extensions being linked into Python's own prefix instead of into a view) are completely outdated, and removed. It used to be supported but was removed years ago.
5. Views for Python extension would _always_ copy non-symlinks in `./bin/*`, which is a big mistake, since all we care about is rewriting shebangs of scripts; we don't want to copy binaries. Now we first check if the file is executable, and then read two bytes to check if it has a shebang, and only if so, copy the entire file and patch up shebangs.

The bug fixes for (1) and (2) basically consist of getting rid of `realpath` entirely, and instead simply keep track of file identifiers of files that are copied/modified in the view. Only after patching up regular files do we iterate over symlinks and check if they target one of those. If so, retarget it to the modified file in the view.
2024-02-12 19:52:52 +01:00
John Biddiscombe
c33a8dc223
h5hut: fix to work with latest hdf5 (H5_USE_110_API) (#42607) 2024-02-12 04:33:39 -07:00
Richard Berger
742e2fc7e4
caliper: allow newer papi to be used (#42501) 2024-02-12 11:53:57 +01:00
Jean Luca Bez
e90b616428
pdc: add v0.4 (#42508) 2024-02-12 11:52:54 +01:00
Brian Vanderwende
3d037c5150
nco: add v5.1.9 (#42512) 2024-02-12 11:46:07 +01:00
Ivan Maidanski
fd60e97784
bdw-gc: add v8.2.6 (#42524) 2024-02-12 11:38:12 +01:00
Thomas Madlener
c2cda6bc48
lcio: add v2.21 (#42514) 2024-02-12 11:37:10 +01:00
Thomas Madlener
1cd95a4bb7
podio: add 0.99 pre-release version and deprecate all older versions (#42526) 2024-02-12 11:36:30 +01:00
James Beal
727eaf3c82
samtools: add v1.19.2 (#42550)
Co-authored-by: James Beal <jb23@sanger.ac.uk>
2024-02-12 11:09:05 +01:00
Thomas Madlener
d014671bcb
edm4hep: add v0.10.5, deprecate broken v0.10.4 (#42561) 2024-02-12 11:01:44 +01:00
Caetano Melone
4edb073a20
litestream: add new package (#42565) 2024-02-12 10:58:12 +01:00
G-Ragghianti
5d2b9514db
Fixed papi release tar hash due to rebuild of tar file (#42567) 2024-02-12 10:57:12 +01:00
Ken Raffenetti
2491855678
mpich: Fix +vci variant for newer releases (#42570)
--with-ch4-max-vcis=default is no longer accepted by MPICH configure
since the 4.1 release. Just omit the option from the +vci variant, since
configure will select the default value in its absence.
2024-02-12 10:55:57 +01:00
Mark Grondona
b23038db53
flux-core: drop czmq,jsonschema requirements for recent versions (#42560)
Problem: Older versions of the flux-core package require czmq and
jsonschema, but these dependencies have been dropped in recent
versions.

Add `when=` arguments to drop these requirements for the appropriate
versions of flux-core.
2024-02-12 10:55:00 +01:00
Julien Cortial
6d68dcf13c
libuv: update compiler requirements (#42576) 2024-02-12 10:54:10 +01:00
Adam J. Stewart
fbf6db035b
py-lightning: add v2.2.0 (#42577) 2024-02-12 10:49:17 +01:00
Richard Berger
1a43fc1e62
lammps: add v20240207 (#42587)
* lammps: correct license

LAMMPS has always been GPL-2.0 only. The clarification was made here:
9a8ac23663
2024-02-12 10:46:05 +01:00
Mikael Simberg
8210853276
pika: add v0.22.2 (#42617) 2024-02-12 02:38:50 -07:00
Sebastian Ehlert
e8bf6ab352
orca: added new versions (#38822) 2024-02-12 10:20:36 +01:00
Sinan
0aa91b99ed
freexl: add v2.0.0 (#42574)
Co-authored-by: sbulut <sbulut@3vgeomatics.com>
2024-02-12 10:16:31 +01:00
kinagaki-fj
d93b035f14
xmlf90: add version and fix for fujitsu compiler (#42305) 2024-02-12 10:14:11 +01:00
kinagaki-fj
adb0757f72
blitz: fix for fujitsu compiler (#42307)
Co-authored-by: m-shunji <m.shunji@fujitsu.com>
2024-02-12 10:11:26 +01:00
George Malerbo
2369a8f4e5
raylib: add new package (#42594) 2024-02-12 10:07:33 +01:00
Alec Scott
a6844d26e0
coretuils: add v9.4 (#42596) 2024-02-12 10:03:00 +01:00
Alec Scott
95c663224d
curl: add v8.6.0 (#42597) 2024-02-12 10:02:26 +01:00
Brian Vanderwende
6dc01f0d94
Fix for tirpc variable in libdap4 (#42511) 2024-02-12 10:01:53 +01:00
Adam J. Stewart
2d3eeecef8
Sleef: fix build on macOS arm64, add test support (#42583) 2024-02-12 09:59:12 +01:00
Alec Scott
167a168a63
bfs: add v3.1 (#42595) 2024-02-12 09:54:45 +01:00
Elsa Gonsiorowski, PhD
10af235895
lwgrp: add autotools deps when building @main (#42564) 2024-02-12 09:40:52 +01:00
Cyrus Harrison
5d6dec5a5c
conduit: add v0.9.1 (#42510) 2024-02-12 09:30:04 +01:00
Massimiliano Culpo
6ae0696e2f
sirius: fix self-referential dependencies (#42552) 2024-02-12 09:21:14 +01:00
Massimiliano Culpo
9688e91a6b
spla: fix self-referential dependencies (#42553) 2024-02-12 09:15:27 +01:00
Alec Scott
c026943c8e
glab: add v1.36.0 (#42610) 2024-02-12 09:14:20 +01:00