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2023-07-20Update GNINA and libmolgrid (#38978)Rocco Meli2-2/+6
* pin protobuf * explicitly select python interpreter * remove python pin
2023-07-20botan: checksum 3.1.0 and 3.1.1 (#39006)Martin Aumüller1-0/+2
2023-07-20release gotcha 1.0.4 (#39007)Hariharan Devarajan1-2/+2
2023-07-20tinygltf: new versions and add release branch (#39012)Martin Aumüller1-0/+5
* tinygltf: new versions and release branch for each minor release available, the newest patch release has been added --------- Co-authored-by: aumuell <aumuell@users.noreply.github.com>
2023-07-20qt: make partially buildable on macos (#38990)Martin Aumüller1-5/+5
- drop use_xcode = True, as this would lead to an attempt install Xcode (#34064) - don't automatically build Qt Location with +opengl, as this is still broken This built sucessfully with qt@5.15.10+opengl+dbus+phonon on ventura/arm without Xcode installed (only command line tools) - I did not check with Xcode installed.
2023-07-20py-lightly: add v1.4.13 (#39019)Adam J. Stewart1-0/+1
2023-07-20[py-wasabi] added version 1.1.2 (#38268)Jen Herting1-1/+6
* [py-wasabi] added version 1.1.2 * [py-wasabi] flake8 * [py-wasabi] - added dependency on py-colorama - updated homepage * [py-wasabi] removed python check for py-colorama * [@spackbot] updating style on behalf of qwertos --------- Co-authored-by: qwertos <qwertos@users.noreply.github.com>
2023-07-20py-stack-data: add 0.6.2 (#38952)Manuela Kuhn1-0/+4
2023-07-20[py-omegaconf] added version 2.2.2 (#38980)Jen Herting1-2/+3
2023-07-19Add new feq-parse version (#38991)Joe Schoonover1-1/+2
* Add new feq-parse version * Swap 2.0.0 for 2.0.1 - resolves feq-parse build failure
2023-07-19justbuild: add v1.1.4 (#38985)Alberto Sartori1-0/+1
2023-07-19modules: use curly braces to enclose value in Tcl modulefile (#38375)Xavier Delaruelle1-0/+19
Use curly braces instead of quotes to enclose value or text in Tcl modulefile. Within curly braces Tcl special characters like [, ] or $ are treated verbatim whereas they are evaluated within quotes. Curly braces is Tcl recommended way to enclose verbatim content [1]. Note: if curly braces charaters are used within content, they must be balanced. This point has been checked against current repository and no unbalanced curly braces has been spotted. Fixes #24243 [1] https://wiki.tcl-lang.org/page/Tcl+Minimal+Escaping+Style
2023-07-19[py-openapi-schema-pydantic] New package (#38973)Jen Herting1-0/+19
2023-07-19[py-langsmith] New package (#38971)Jen Herting1-0/+20
2023-07-19[py-uc-micro-py] New package (#38967)Jen Herting1-0/+18
2023-07-19[py-pydub] new package (#38966)Jen Herting1-0/+18
2023-07-19[py-hatch-requirements-txt] new package (#38965)Jen Herting1-0/+19
2023-07-19[py-ffmpy] New package (#38964)Jen Herting1-0/+18
2023-07-19[py-colorama] added version 0.4.6 (#38737)Jen Herting1-3/+6
* [py-colorama] added version 0.4.6 * [py-colorama] limited py-setuptools dependency
2023-07-19py-cython: add v3.0.0 (#38961)Adam J. Stewart4-8/+15
2023-07-19Remove `LazyReference` from code (#38944)Massimiliano Culpo1-1/+1
A LazyReference object is a reference to an attribute of a lazily evaluated singleton. Its only purpose is to let developers use shorter names to refer to such attribute. This class does more harm than good, as it obfuscates the fact that we are using the attribute of a global object. Also, it can easily go out of sync with the singleton it refers to if, for instance, the singleton is updated but the references are not. This commit removes the LazyReference class entirely, and access the attributes explicitly passing through the global value to which they are attached.
2023-07-19magma: add package name to conflict messages (#38984)Aiden Grossman1-9/+11
Without the package name being present in the conflict messages, it is significantly more difficult to debug concretization failures in environments that contain many packages.
2023-07-19petsc: add version 3.19.3 (#38974)downloadico2-0/+4
2023-07-19rmgdft: add v5.3.1, v5.4.0 and cuda variant (#37813)Emil Briggs1-11/+32
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-07-19mesa-glu: Patch register long to long (#38833)Aiden Grossman2-0/+32
mesa-glu still has a couple instances of the register keyword which causes build failures with clang on my platform. This patch removes the register keyword which doesn't have any impact on correctness.
2023-07-19gperf: patch usage of register keyword (#38893)Aiden Grossman2-0/+19
gperf still uses the register keyword in one place which makes compilation fail with c++17. This patch adds in a patch file to remove the usage of the reigster keyword so that it compiles properly.
2023-07-19elfutils: remove conflicts with clang after version 0.186 (#38945)Aiden Grossman1-5/+2
In late 2021 elfutils was patched to make it build with clang, and these patches ended up in version 0.186. This commit updates the conflicts to specify this so elfutils can be built with clang.
2023-07-19amdfftw: turn conflicts into conditional variants (#38221)Carlos Bederián1-76/+51
2023-07-19palace: fix bugs introduced in #38910 (#38983)Sebastian Grimberg1-9/+9
2023-07-18Improve RDKit package (#36566)Rocco Meli3-8/+73
2023-07-18palace: add v0.11.2 (#38910)Sebastian Grimberg1-36/+49
2023-07-18py-poetry-core: add 1.6.1 and fix url (#38452)Manuela Kuhn1-3/+12
* py-poetry-core: add 1.6.1 and fix url * Update var/spack/repos/builtin/packages/py-poetry-core/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Re-add python upper bound for older versions * Update var/spack/repos/builtin/packages/py-poetry-core/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-07-18FleCSPH: update package (#37888)Julien Loiseau1-19/+13
Co-authored-by: Richard Berger <richard.berger@outlook.com>
2023-07-18fftw: fix build with clang15+ (#38889)Aiden Grossman1-0/+7
In Clang 15, -Wint-conversion became an error instead of a warning, breaking the fftw build for clang versions > 15. This patch fixes fftw builds with clang 15+ by passing -Wno-error=int-conversion as a cflag.
2023-07-18chameleon: update to version 1.2.0 (#38936)fpruvost1-1/+3
2023-07-18buildcache push: make --allow-root the default and deprecate the option (#38878)Harmen Stoppels1-2/+2
Without --allow-root spack cannot push binaries that contain paths in binaries. This flag is almost always needed, so there is no point of requiring users to spell it out. Even without --allow-root, rpaths would still have to be patched, so the flag is not there to guarantee binaries are not modified on install. This commit makes --allow-root the default, and drops the code required for it. It also deprecates `spack buildcache preview`, since the command made sense only with --allow-root. As a side effect, Spack no longer depends on binutils for relocation
2023-07-18Update dbcsr and cp2k to latest version (#38939)Taillefumier Mathieu2-11/+22
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
2023-07-18Update package.py (#38946)Houjun Tang1-0/+1
2023-07-17wannier90 github (#38927)Rocco Meli1-0/+2
2023-07-17meson: add 1.2.0, 1.1.1 and 1.0.2 (#38935)Michael Kuhn1-0/+3
2023-07-18added new packages (#38941)Andrey Perestoronin16-0/+96
2023-07-18Update gsi-ncdiag/1.1.1 sha256 (#38943)David Huber1-1/+1
2023-07-17py-soupsieve: add 2.4.1 (#38929)Manuela Kuhn1-3/+5
2023-07-17py-setuptools: add 68.0.0 (#38930)Manuela Kuhn1-0/+5
* py-setuptools: add 68.0.0 * [@spackbot] updating style on behalf of manuelakuhn
2023-07-17py-setuptools-rust: add 1.6.0 (#38932)Manuela Kuhn1-3/+6
2023-07-17py-sphinxcontrib-applehelp: add 1.0.4 (#38933)Manuela Kuhn1-1/+3
2023-07-17py-sphinxcontrib-htmlhelp: add 2.0.1 (#38934)Manuela Kuhn1-2/+4
2023-07-17py-pyside: fix build with python3.8 (#38886)Manuela Kuhn1-18/+10
* py-pyside: fix build for version 1.2.2 * Remove check for python version * Fix style * Remove unnecessary patch * Update var/spack/repos/builtin/packages/py-pyside/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/py-pyside/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Remove py-markupsafe conflict * Update var/spack/repos/builtin/packages/py-pyside/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/py-pyside/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Move python check removal below suprocess patch * Remove preference of 1.2.2 --------- Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-07-17soapdenovo2: strip optimization flags from injected flags (#38846)snehring1-5/+10
* soapdenovo2: strip optimization flags from injected flags * soapdenovo2: add maintainer * soapdenovo2: only append on cflags * soapdenovo2: clean up some wording and implementation
2023-07-17justbuild: add v1.1.3 (#38925)Alberto Sartori1-0/+1