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Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
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Bumps [black](https://github.com/psf/black) from 23.7.0 to 23.9.1.
- [Release notes](https://github.com/psf/black/releases)
- [Changelog](https://github.com/psf/black/blob/main/CHANGES.md)
- [Commits](https://github.com/psf/black/compare/23.7.0...23.9.1)
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updated-dependencies:
- dependency-name: black
dependency-type: direct:production
update-type: version-update:semver-minor
...
Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
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* 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>
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* [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>
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Co-authored-by: Andrey Alekseenko <al42and@gmail.com>
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* 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>
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Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>
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* 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
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Co-authored-by: Sinan81 <Sinan@world>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
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* ensure umpire~cuda~rocm when ~cuda~rocm
* update tydynamics
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* 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
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* 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
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Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
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* 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
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Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
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Co-authored-by: jmcarcell <jmcarcell@users.noreply.github.com>
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* 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>
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Co-authored-by: Fábio de Andrade Barboza <f168817@dac.unicamp.br>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
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Co-authored-by: Satish Balay <balay@mcs.anl.gov>
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* 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
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Co-authored-by: Fábio de Andrade Barboza <f168817@dac.unicamp.br>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
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Co-authored-by: Travis Drayna <tdrayna@loki.local>
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* 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
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- [x] Intel flags for old architectures
- [x] Support for Sapphire Rapids
- [x] Cache the "ancestors" computation
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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>
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When building elpa +autotune, we apparently need to add
the configure option --enable-scalapack-tests
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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.
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Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
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Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
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variable HEED_DATABASE (#39904)
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Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
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Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
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Co-authored-by: Alexander Van Craen <40516079+vancraar@users.noreply.github.com>
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
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