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2023-09-12lbann: make two variants sticky (#39710)Brian Van Essen1-2/+12
* Make the state of the Python Front End (PFE) and Python data reader support sticky so that the concretizer does not arbitrarily disable them. Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-09-11[gromacs] Fix 2021.2 build error (#39722)Stephen Sachs1-0/+6
* [gromacs] Fix 2021.2 build error See https://gromacs.bioexcel.eu/t/compilation-failure-for-gromacs-2021-1-and-2021-2-with-cmake-3-20-2/2129 * Update var/spack/repos/builtin/packages/gromacs/package.py Co-authored-by: Andrey Alekseenko <al42and@gmail.com> --------- Co-authored-by: Andrey Alekseenko <al42and@gmail.com>
2023-09-11fish: add 3.6.0, 3.6.1, update cmake requirement (#39899)Caetano Melone1-1/+4
2023-09-11py-build: add v1 (#39930)Adam J. Stewart1-7/+12
2023-09-11Add awscli@1.29.41 and its dependency py-botocore@1.31.41 (#39878)Dom Heinzeller2-5/+9
* Add awscli@1.29.41 and its dependency py-botocore@1.31.41 * Update var/spack/repos/builtin/packages/awscli/package.py Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com> --------- Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>
2023-09-11package_qscintilla_build_with_qt6 (#39544)Sinan1-114/+78
* package_qscintilla_build_with_qt6 * Update var/spack/repos/builtin/packages/qscintilla/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * improve * fix Qsci.abi3.so install * simplify, fix, tidy * fix style * fix style * fix style * Update var/spack/repos/builtin/packages/qscintilla/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/qscintilla/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/qscintilla/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/qscintilla/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/qscintilla/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * improve * improve style * fix style * make black happy * add ver 2.14.1 * update * make black happy * Update var/spack/repos/builtin/packages/qscintilla/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * improve --------- Co-authored-by: Sinan81 <Sinan@world> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11py-black: add v23.9 (#39931)Adam J. Stewart1-0/+2
2023-09-11py-tifffile: add 2023.8.30 (#39918)Manuela Kuhn1-1/+5
2023-09-11py-tinycss2: add 1.2.1 (#39921)Manuela Kuhn1-1/+2
2023-09-11py-tomlkit: add 0.12.1 (#39922)Manuela Kuhn1-2/+2
2023-09-11tidynamics: add v1.1.2 (#39911)Rocco Meli1-0/+2
* ensure umpire~cuda~rocm when ~cuda~rocm * update tydynamics
2023-09-11correct py-bx-python@0.8.8 python dependency (#39766)Mike Renfro1-1/+5
* correct python dependency for 0.8.8 * add missing zlib dependency * restore missing whitespace * correct versions for 0.9.0, clarify rules for future releases * Update package.py * Remove whitespace for black check
2023-09-11fpchecker: add version 0.4.0 (#39924)Tim Haines1-0/+1
2023-09-11cuda: add versions 12.2.0 and 12.2.1 (#39684)Richard Berger1-0/+28
2023-09-11py-fairscale and dependencies py-pgzip libgit2 py-pygit2 (#39220)sid4-16/+83
* simple build of py-openai * added variants to py-openai * py-pandas-stubs is a dependency for py-openai * fixed format and flake8 errors for py-openai * black format error for py-pandas-stubs * [@spackbot] updating style on behalf of sidpbury * made style and format changes to py-openai * made style and format changes to py-pandas-stubs * py-types-pytz is a dependency for py-openai * [@spackbot] updating style on behalf of sidpbury * updated py-openpyxl for ver 3.0.7 and 3.1.2 * Update var/spack/repos/builtin/packages/py-pandas-stubs/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * ajs requested changes for py-openai * updated py-openpyxl for supported python * [@spackbot] updating style on behalf of sidpbury * updated py-openpyxl * removed requirement.txt dependencies in py-openpyxl * removed python depends on from openpyxl * updated package to support newer versions * updated version of py-pygit2 * py-fairscale is a new package in support of torch * py-pgzip is a dependency for py-fairscale * switch fairscale pypi, added extra variant for convenience * removed python dependency * changed multiple requirement versions * changes for upstream py-fairscale * changes for upsteam py-pygit2 * Update package.py * Update package.py * sorted out some of the dependency versions * removed version 1.12.2 because dependency could not be met * updated py-cached-property dependency * suggested changes from adamjstewart --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11spectre: add v2023.08.18 and v2023.09.07 (#39925)Nils Vu1-0/+6
2023-09-11Update MDAnalysis (#39787)Rocco Meli2-3/+19
* ensure umpire~cuda~rocm when ~cuda~rocm * update mdanalysis * Update var/spack/repos/builtin/packages/py-mdanalysis/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/py-mdanalysis/package.py --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11update q-e-sirius package (#39744)Simon Pintarelli1-9/+37
2023-09-11Add another url for whizard (#37354)Juan Miguel Carceller1-1/+4
Co-authored-by: jmcarcell <jmcarcell@users.noreply.github.com>
2023-09-11gdrcopy: inherit from CudaPackage, update dependencies (#39596)Scot Halverson1-1/+8
2023-09-11py-pipdeptree: add new package; py-hatchling: add 1.18.0 (#39697)Fábio de Andrade Barboza2-0/+22
* py-hatchling: add 1.18.0 * py-pipdeptree: add new package * py-hatchling: add Python 3.8 dependency * Apply suggestion from code review Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> --------- Co-authored-by: Fábio de Andrade Barboza <f168817@dac.unicamp.br> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11SLEPc: add v3.19.2 (#39805)Jose E. Roman2-0/+2
Co-authored-by: Satish Balay <balay@mcs.anl.gov>
2023-09-11py-enum-tools: add new package and dependencies (#39672)Fábio de Andrade Barboza14-0/+305
* Adds package 'enum-tools' * Fixes syntax * py-enum-tools: update pypi link and dependencies * py-whey: add new package * py-consolekit: add new package * py-shippinglabel: add new package * py-project-parser: add new package * py-handy-archives: add new package * py-domdf-python-tools: add new package * py-dom-toml: add new package * py-dist-meta: add new package * py-deprecation-alias: add new package * py-pygments: add versions 2.16.0 and 2.16.1 * py-mistletoe: add new package * py-apeye: add new package * py-apeye-core: add new package * Fix dependencies' names and remove redundancies * Fix style * py-enum-tools: fix dependencies * py-mistletoe: update dependencies * Apply suggestions from code review Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * py-whey: fix dependencies * py-whey: fix style * py-apeye: fix dependencies --------- Co-authored-by: Fábio de Andrade Barboza <f168817@dac.unicamp.br> Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-09-11dakota: add v6.18 (#39882)Travis1-0/+14
Co-authored-by: Travis Drayna <tdrayna@loki.local>
2023-09-11dd4hep: make sure to find libraries correctly (#39516)Thomas Madlener1-1/+8
2023-09-11ctffind: extend a Power 9 patch to AArch64 (#39137)dslarm2-1/+2
2023-09-11MALT: add v1.2.2 (#39890)Sébastien Valat1-1/+2
2023-09-11NUMAPROF: add v1.1.5 (#39891)Sébastien Valat1-0/+1
2023-09-11py-dunamai: add 1.18.0 (#39849)Manuela Kuhn1-1/+2
2023-09-11glibc: fix deps, drop pre 2.17 (#39806)Harmen Stoppels7-232/+23
* glibc: add missing deps, drop < 2.17 Building glibc 2.17 requires linking libgcc_{s,eh}.a, which themselves depend on whatever glibc the current gcc uses for its runtime libraries. Newer gcc depends on gnu extensions of libdl it seems, so that means you simply cannot build old glibc with gcc-using-new-glibc. The relevant fix in glibc is this commit: commit 95f5a9a866695da4e038aa4e6ccbbfd5d9cf63b7 Author: Joseph Myers <joseph@codesourcery.com> Date: Tue Jul 3 19:14:59 2012 +0000 Avoid use of libgcc_s and libgcc_eh when building glibc. See also references to that commit in the glibc mailing list. * update the gmake bound * add --without-selinux
2023-09-11Update archspec to latest commit (#39920)Massimiliano Culpo4-10/+119
- [x] Intel flags for old architectures - [x] Support for Sapphire Rapids - [x] Cache the "ancestors" computation
2023-09-11Support of versions of cp2k below 7 marked as deprecated (#39652)Taillefumier Mathieu1-7/+22
SIRIUS was introduced in version 7 of cp2k but could be used in practice in version 9 (input format and functionalities). SIRIUS with version 6 and below are marked as a dependency conflict until CP2K version 9. Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
2023-09-11elpa: Add --enable-scalapack-tests to configure when +autotune (#39728)Tom Payerle1-0/+2
When building elpa +autotune, we apparently need to add the configure option --enable-scalapack-tests
2023-09-11celeritas: add v0.3.2 (#39879)Seth R. Johnson1-0/+1
2023-09-11sirius: fix cuda_arch flags (#39889)Simon Pintarelli1-1/+3
2023-09-11gitlab ci: Use image with awscli for rebuild-index job (#39636)Scott Wittenburg5-9/+10
Instead of pointing to the image on DockerHub, which rate limits us and causes pipeline failures durying busy times, use the version at ghcr. And we might as well use the ghcr version everywhere else too.
2023-09-11w3emc: add develop version and more variants (#39884)Alex Richert1-6/+37
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-09-11acfl: map rocky9 to RHEL-9 (#39892)Annop Wongwathanarat1-0/+1
2023-09-11sp: add develop version, build precision, and OpenMP support (#39874)Alex Richert1-3/+21
Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
2023-09-11Garfield++: Add the patch to fix the missing headers and Set the environment ↵Tao Lin1-1/+25
variable HEED_DATABASE (#39904)
2023-09-11likwid: search library path for compilation with hwloc (#39659)Thomas Gruber1-6/+12
2023-09-11openfoam-org: zoltan renumbering and decompsition (#39915)kjrstory1-0/+20
2023-09-11transdecoder: add 5.7.1 (#39916)George Young1-0/+1
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-09-11gffcompare: new package @0.12.6 (#39917)George Young1-0/+26
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
2023-09-11wrf: fix patches for 4.2 to 4.4.2 for aarch64 config (#39900)Annop Wongwathanarat6-27/+258
2023-09-11intel-oneapi-mkl: hpcx-mpi support (#39750)Robert Cohn1-3/+8
2023-09-11DisCoTec: add new package (#35239)Freifrau von Bleifrei1-0/+50
Co-authored-by: Alexander Van Craen <40516079+vancraar@users.noreply.github.com> Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-09-10singularity: fix package name in comment (#39822)Adam Fidel1-1/+1
2023-09-10Update package H5Z-ZFP to 1.1.1 (#39740)Mark (he/his) C. Miller1-1/+10
* update to 1.1.1 * add maintainers * add 1.1.0; set default
2023-09-10spglib: add v2.1.0 (#39910)Rocco Meli1-0/+1
* ensure umpire~cuda~rocm when ~cuda~rocm * update spglib
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