* qt-base: new version 6.5.0
* qt-declarative: new version 6.5.0
* qt-quick3d: new version 6.5.0
* qt-quicktimeline: new version 6.5.0
* qt-shadertools: new version 6.5.0
* qt-*: new version 6.5.1
* qt-base: new version 6.5.1
* py-pyarrow: enable parquet variant by default
* Disable parquet variant by default
* Add conflict to enable parquet when dataset is active
* Disable dataset variant by default
* initial commit of nanobind package
* style fixes
* Update package.py
Typo
* addressed PR comments
* add v1.4.0
* Update var/spack/repos/builtin/packages/py-nanobind/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Matthew Archer <ma595@cam.ac.uk>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-astropy: fix import tests and restrict py-pip version
* Fix --install-option name in comments
* Rename variant and fix variant dependencies
* Remove parquet variant from py-pyarrow
1. Fix O(n^2) iteration in `_get_overwrite_specs`
2. Early exit `get_by_hash` on full hash
3. Fix O(n^2) double lookup in `all_matching_specs` with hashes
4. Fix some legibility issues
* mlpack: new package
mlpack is an intuitive, fast, and flexible header-only C++ machine learning library with bindings to other languages. It is meant to be a machine learning analog to LAPACK, and aims to implement a wide array of machine learning methods and functions as a "swiss army knife" for machine learning researchers.
* mlpack: upstream merged patch to allow python installation in spack
* Added v5.0.0 of PyAMG. This required v7.1.0 of setuptools_scm due to a bug in 7.0.5.
* Added comment about version requirement.
* Loosened dependency based on build experiments.
* Updated tomli deps.
* Update var/spack/repos/builtin/packages/py-setuptools-scm/package.py
Dependence for 7.0 only.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-pyamg/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Swapped lines.
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-pip: add 23.1.2
* Restrict py-pip version for py-protobuf
* Restrict py-pip version for straightforward packages
* Restrict py-pip version for nrm
* Fix --install-option name in comments
* Simplify py-pip restriction for py-scs
* nrm: fix wrong comment
* py-spglib: add 2.0.2
* Update var/spack/repos/builtin/packages/py-spglib/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Remove py-setuptools as run dependency
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add maintainers
* Updated cosma archive checksum and costa version
- updated cosma version (in the cosma build system)
- updated costa version
- use the default generic url for downloading packages
- do not build tiled-mm when the cpu only version is needed
Signed-off-by: Dr. Mathieu Taillefumier <mathieu.taillefumier@free.fr>
Co-authored-by: Rocco Meli <r.meli@bluemail.ch>
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
NAMD users expect the Tcl scripting interface to be enabled as it is used in many examples and tutorials in addition to being required for features such as multi-copy algorithms.
* When installing a package Spack will attempt to set group permissions on
the install prefix even when the configuration does not specify a group.
Co-authored-by: David Gomez <dvdgomez@users.noreply.github.com>
From the configure.ac file:
> H5VL_log is built on top of MPI. Configure option --without-mpi or
> --with-mpi=no should not be used. Abort.
This currently fails to build in the oneAPI pipeline on `develop`
* py-userpath: new package
* pipx: new package
* Update var/spack/repos/builtin/packages/pipx/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* pipx: Remove incorrect dependency on py-platformdirs
* Update var/spack/repos/builtin/packages/pipx/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-userpath: Remove version requirements to match upstream
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
This PR removes deprecated versions for all packages that I'm maintaining. In future Spack releases, I'm planning to do this on a much larger scale, but we can hold off until we have better reproducibility.
I'm hoping that this will improve the maintainability of these packages. If any other maintainers of these recipes would like to retain any of these deprecated versions, or add new versions, speak now or forever hold your peace 😄
---------
Co-authored-by: adamjstewart <adamjstewart@users.noreply.github.com>
Windows runtime library loading searches PATH, and therefore bin/ is
the appropriate place to put .dll files. Prior to this change, XZ was
installing both .dll and .lib files to the lib/ directory.
Move the logic checking which mirrors have the specs we need closer
to where that information is needed. Also update the staging summary
to contain a brief description of why we scheduled or pruned each
job. If a spec was found on any mirrors, regardless of whether
we scheduled a job for it, print those mirrors.
* Change maintainer, add new version and deprecate old one
* Fix style issue
* Revert deprecation
---------
Co-authored-by: Marc Schouler <marc.schouler@inria.fr>
PowerShell requires explicit shell and env support in Spack.
This is due to the distinct differences in shell interactions between
cmd and pwsh. Add a doskey in pwsh piping 'spack' commands to a
powershell script similar to the sh function 'spack'. Add
support for PowerShell-specific shell interactions from Spack
(set/unset shell variables).
* py-ruamel-yaml: add 0.17.32 and py-ruamel-yaml-clib: add 0.2.7
* Update var/spack/repos/builtin/packages/py-ruamel-yaml/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Fix style
* Fix python dependency
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* HDF5: is_enabled helper (ON)
Slightly generalize the `is_enabled` helper in the HDF5 package.
`ON` is the most typical CMake bool option passed, besides many
other possible `true` values, and should be included as a possible
check to the config.
* Simplify
---------
Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
* Support hardlinks/junctions on Windows systems without developer
mode enabled
* Generally, use of llnl.util.symlink.symlink is preferred over
os.symlink since it handles this automatically
* Generally an error is now reported if a user attempts to create a
symlink to a file that does not exist (this was previously allowed
on Linux/Mac).
* One exception to this: when Spack installs files from the source
into their final prefix, dangling symlinks are allowed (on
Linux/Mac - Windows does not allow this in any circumstance).
The intent behind this is to avoid generating failures for
installations on Linux/Mac that were succeeding before.
* Because Windows is strict about forbidding dangling symlinks,
`traverse_tree` has been updated to skip creating symlinks if they
would point to a file that is ignored. This check is not
transitive (i.e., a symlink to a symlink to an ignored file would
not be caught appropriately)
* Relocate function: resolve_link_target_relative_to_the_link
(this is not otherwise modified)
Co-authored-by: jamessmillie <smillie@txcorp.com>
Update list of excluded variables in `from_sourcing_file` function to
cover all variables specific to Environment Modules or Lmod. Add
specifically variables relative to the definition of `module()`, `ml()`
and `_module_raw()` Bash functions.
Fixes#13504
* Add new versions of Qthreads
* Add version URLs explicitly as it has recently changed
* Use function to extrapolate version URL for older versions
* Fix url formatter
llvm @13-15 is required for ispc, but fails to build with GCC 13.
14.0.6 and 15.0.7 built successfully with upstream patch, 13.0.1
still fails. Thus upstream patch is applied to 14 and 15 only.
Update `env.set` command and underlying `SetEnv` object to add the `raw`
boolean attribute. `raw` is optional and set to False by default. When
set to True, value format is skipped for object when generating
environment modifications.
With this change it is now possible to define environment variable
whose value contains variable reference syntax (like `{foo}` or `{}`)
that should be set as-is.
Fixes#29578
By default, `find_package(Python)` searches from highest version to lowest version, identifying the highest version that satisfies the requirements. This means that `/usr/bin/python3.11` will be found before `$(spack location -i python)/bin/python3.10`, even when other packages have been built with the `python` in spack.
This ensures that the `python` dependency is explicitly the `python` version that is used.
* libEnsemble: add v0.10.0
* Make new deps required
* Fixes to deps
* Update var/spack/repos/builtin/packages/py-libensemble/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Fix build, run
* Reorder required deps
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-pytest: add 7.3.2
* [@spackbot] updating style on behalf of manuelakuhn
* Swap py-importlib-metadata dependency order
* Restrict python version for older versions
* Add recipe for iterative-stats
* Fix branch name and remove comment
* Add git link
* Add package maintainer
* Enforce multiple requested changes
* Update var/spack/repos/builtin/packages/py-iterative-stats/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update checksum
* Fix openturns dependency specification
* Add python variant spec to openturns
---------
Co-authored-by: Marc Schouler <marc.schouler@inria.fr>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add rust v1.70.0 and simplify package logic by moving bootstrap to dedicated package
* Fix formatting of rust-bootstrap package file
* Re-enable Rust as extendable
* Add nightly version to rust and rust-bootstrap
* Manually inject openssl certs into environment
* Add master and beta versions to rust
* Add additional documentation for using rust development releases
* Remove @AndrewGaspar as maintainer
* py-notebook: add 6.5.4
* [@spackbot] updating style on behalf of manuelakuhn
* Update var/spack/repos/builtin/packages/py-notebook/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Fix version of py-nbclassic dependency
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
It installs the LFortran runtime library and
LFortran can compile codes to binaries. The interactive mode does not
work yet with LLVM > 11, that has to be fixed upstream.
Co-authored-by: Wileam Y. Phan <50928756+wyphan@users.noreply.github.com>
No changes to the build system, no changes to `package.py` needed.
Changelog: https://github.com/qt/qtbase/compare/v5.15.9-lts-lgpl...v5.15.10-lts-lgpl
Main change taking up space:
- bundled 3rdparty/pcre2 updated from 10.39 to 10.40 (spack now includes 10.42, and we don't put specific version requirements in `package.py`)
* py-networkx: add 3.1
* Update var/spack/repos/builtin/packages/py-networkx/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add default variant
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-pycairo: add 1.24.0
* Change python dependency to 3.8
* Remove upper bound for python dependency
* Update var/spack/repos/builtin/packages/py-pycairo/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* add darshan 3.4.3 releases
* darshan-runtime 3.4.3
* darshan-util 3.4.3
* py-darshan 3.4.3.0
- add py-humanize as new dependency
* py-darshan has strict darshan-util version reqs
darshan-util version required is based on the first 3 parts of
the py-darshan version string
* remove support for python3.6
* py-humanize dependency for 3.4.3+ versions
* only enforce scipy dependency for 3.4.0.1
* drop optional lxml dependency
* drop matplotlib pinning
* importlib-resources not a dep in python-3.7+
* drop unnecessary numpy pin
* add build dep for pytest-runner
* fix typo in pytest-runner package name
* pip setuptools to match pydarsan setup.py
* spack style fix
* py-gsutil: add 5.24, fix and add dependencies
* Update var/spack/repos/builtin/packages/py-httplib2/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add httplib2@0.20.4 and pin it in py-gsutil
* Add py-cryptography conflict
* Update var/spack/repos/builtin/packages/py-httplib2/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-pyopenssl: fix py-cryptography conflict
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* update mda and mdatests
* black
* 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>
* polish
* Update var/spack/repos/builtin/packages/py-mdanalysistests/package.py
* fixes
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
`FFLAGS` and `FCFLAGS` are being ignored by WRF build system. Not only in version
`3.9.1.1`, but also `4.x`.
Also, I see no reason to explicitly add `-w` and `-O2` to compile lines when
using `gcc@10:`. Tested for version `3.9.1.1`, `4.2.2`, & `4.5.0`.
Tagging original authors of this part @MichaelLaufer and @giordano in case they
want to chime in.
* ncbi-rmblastn: patching to support building with %gcc@13:
* ncbi-rmblastn: patching to build with %gcc@13:
---------
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
* py-pre-commit: add 3.3.3
* Update var/spack/repos/builtin/packages/py-pre-commit/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Spack flags supplied by users should supersede flags from package build systems and
other places in Spack. However, Spack currently adds user-supplied flags to the
beginning of the compile line, which means that in some cases build system flags will
supersede user-supplied ones.
The right place to add a flag to ensure it has highest precedence for the compiler really
depends on the type of flag. For example, search paths like `-L` and `-I` are examined
in order, so adding them first is highest precedence. Compilers take the *last* occurrence
of optimization flags like `-O2`, so those should be placed *after* other such flags. Shim
libraries with `-l` should go *before* other libraries on the command line, so we want
user-supplied libs to go first, etc.
`lib/spack/env/cc` already knows how to split arguments into categories like `libs_list`,
`rpath_dirs_list`, etc., so we can leverage that functionality to merge user flags into
the arg list correctly.
The general rules for injected flags are:
1. All `-L`, `-I`, `-isystem`, `-l`, and `*-rpath` flags from `spack_flags_*` to appear
before their regular counterparts.
2. All other flags ordered with the ones from flags after their regular counterparts,
i.e. `other_flags` before `spack_flags_other_flags`
- [x] Generalize argument categorization into its own function in the `cc` shell script
- [x] Apply the same splitting logic to injected flags and flags from the original compile line.
- [x] Use the resulting flag lists to merge user- and build-system-supplied flags by category.
- [x] Add tests.
Signed-off-by: Andrey Parfenov <andrey.parfenov@intel.com>
Co-authored-by: iermolae <igor.ermolaev@intel.com>
* py-vermin: add latest version 1.5.2
* Removed obsolete dep and setuptools is only for build-time
- setuptools are not used as runtime
- py27 isn't strictly necessary
The `unparser` that Spack uses for package hashing had several tweaks to ensure compatibility
with Python 2.7:
1. Currently, the unparser automatically moves `*` and `**` args to the end to preserve
compatibility with `python@:3.4`
2. `print a, b, c` statements and single-tuple `print((a, b, c))` function calls were
remapped to `print(a, b, c)` in the unparsed output for consistency across versions.
(1) is causing issues in our tests because a recent patch to the Python source code
(https://github.com/python/cpython/pull/102953/files#diff-7972dffec6674d5f09410c71766ac6caacb95b9bccbf032061806ae304519c9bR813-R823)
has a `**` arg before an named argument, and we round-trip the core python source code
as a test of our unparser. This isn't actually a break with our consistent unpausing -- it's still
consistent, the python source just doesn't unparse to the same thing anymore. It does makes
it harder to test, so it's not worth maintaining the Python2-specific stuff anymore.
Since we only support `python@3.6:`, this PR removes (1) and (2) from the unparser, but keeps
one last tweak for unicode AST inconsistencies, as it's still needed for Python 3.5-3.7.
This fixes the CI error we've been seeing on `python@3.11.4` and `python@3.10.12`. Again, that
bug exists only in the test system and doesn't affect our canonical hashing of Python code.
* WarpX 23.06
Update WarpX and related Python packages to the lastest releases.
WarpX 23.06 introduces multi-dimension support in a single package,
which will ease deployment in E4S et al. that can ship now a single,
full-feature module/package that is NOT incompatible with itself
anymore.
* e4s ci stacks: multiple specs for each dim variant no longer required
* [@spackbot] updating style on behalf of ax3l
* WarpX: Update CMake CLI and Test/Check
* Add Missing `build-directory`
* [@spackbot] updating style on behalf of ax3l
* Remove `build_directory` again
---------
Co-authored-by: eugeneswalker <eugenesunsetwalker@gmail.com>
Co-authored-by: ax3l <ax3l@users.noreply.github.com>
* star: add 2.7.10
* star: fix building for non-avx2 arch processors
* convert to MakefilePackage, second take at fixing for aarch64
* style
---------
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
* DependencySpec: add virtuals attribute on edges
This works for both the new and the old concretizer. Also,
added type hints to involved functions.
* Improve virtual reconstruction from old format
* Reconstruct virtuals when reading from Cray manifest
* Reconstruct virtual information on test dependencies
* openradioss-starter,engine: new package
* openradioss-engine: change version name develop to main
* openradioss-starter: change version name develop to main
Update Tcl modulefile template to use the `depends-on` command to
autoload modules if Lmod is the current module tool.
Autoloading modules with `module load` command in Tcl modulefile does
not work well for Lmod at some extend. An attempt to unload then load
designated module is performed each time such command is encountered. It
may lead to a load storm that may not end correctly with large number of
module dependencies.
`depends-on` command should be used for Lmod instead of `module load`,
as it checks if module is already loaded, and does not attempt to reload
this module.
Lua modulefile template already uses `depends_on` command to autoload
dependencies. Thus it is already considered that to use Lmod with Spack,
it must support `depends_on` command (version 7.6+).
Environment Modules copes well with `module load` command to autoload
dependencies (version 3.2+). `depends-on` command is supported starting
version 5.1 (as an alias of `prereq-all` command) which was relased last
year.
This change introduces a test to determine if current module tool that
evaluates modulefile is Lmod. If so, autoload dependencies are defined
with `depends-on` command. Otherwise `module load` command is used.
Test is based on `LMOD_VERSION_MAJOR` environment variable, which is set
by Lmod starting version 5.1.
Fixes#36764
When interpreting local paths as relative URL endpoints, they were
formatted as Windows paths on Windows (i.e. with '\'). URLs should
always be POSIX-style.
Update modulefile templates to append a trailing delimiter to MANPATH
environment variable, if the modulefile sets it.
With a trailing delimiter at ends of MANPATH's value, man will search
the system man pages after searching the specific paths set.
Using append-path/append_path to add this element, the module tool
ensures it is appended only once. When modulefile is unloaded, the
number of append attempt is decreased, thus the trailing delimiter is
removed only if this number equals 0.
Disclaimer: no path element should be appended to MANPATH by generated
modulefiles. It should always be prepended to ensure this variable's
value ends with the trailing delimiter.
Fixes#11355.
* opencascade: new variants
OpenCascade has several major modules and not every
application needs all of them. This adds variants for
the various modules.
It also uodatws the 3rdparty dependency treatment.
* [@spackbot] updating style on behalf of wdconinc
* Update var/spack/repos/builtin/packages/opencascade/package.py
* opencascade: remove variant foundation_classes (always true)
* [@spackbot] updating style on behalf of wdconinc
* Update var/spack/repos/builtin/packages/opencascade/package.py
---------
Co-authored-by: wdconinc <wdconinc@users.noreply.github.com>
* Deprecate R packages for spatial analysis
* [@spackbot] updating style on behalf of adamjstewart
---------
Co-authored-by: adamjstewart <adamjstewart@users.noreply.github.com>
No changes to build system required. Changelog: https://github.com/xiaoyeli/superlu/compare/v5.3.0...v6.0.0
Since this new version adds "64-bit indexing support", and since at least one dependent package (`armadillo`) requires "32-bit integers" (faa6cbf895), the previous version remains preferred.
* [@spackbot] updating style on behalf of wdconinc
---------
Co-authored-by: wdconinc <wdconinc@users.noreply.github.com>
* New version for openCARP packages
* Update carputils dependencies
* Update types of openCARP dependencies
* Add type "run" to setuptools dependency
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add package py-common as carputils dependency
* Add setuptools dependency for py-common
* Remove spaces on blank line
* Restrict type of dependency setuptools to "build"
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: openCARP consortium <info@opencarp.org>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* [gromacs] Fix intel (classic) libstdc++ path
Gromacs's `cmake` run will look for `--gcc-toolchain` (e.g. LLVM, icpx) or
`--gcc-name` (e.g. icpc) in `CMAKE_CXX_FLAGS`. Only if it does not find a good
g++ candidate there it will look for `GMX_GPLUSPLUS_PATH`:
cb6b311c39/cmake/FindLibStdCpp.cmake (L97)
Spack installed intel compilers already define a g++ for std libs. But in
`icp{c,x}.cfg` instead of the compile line. If we use the pre-defined g++ we not
only have less chance of mixing g++ versions, but also don't need to explicitly
add `gcc` as dependency to `gromacs`.
* Fix format
* Use a variant
As there is no way to check if a file exists at depends_on stage
* Fix format
* New name and fail if variant is used with other compiler
* Line too long.
The pcluster image has am internal buildcache without an index.
Also, we need to force reuse to avoid rebuilding GCC, since the default is
to only reuse dependencies - and that is subject to changes in the GCC
recipe.
* bedtools2: patching to build with gcc@13
* bedtools2: patching to build with gcc@13
* Update var/spack/repos/builtin/packages/bedtools2/package.py
Yep, sure. Makes sense.
Co-authored-by: Alec Scott <alec@bcs.sh>
---------
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
Co-authored-by: Alec Scott <alec@bcs.sh>
* ensmallen: new package
ensmallen is a high-quality C++ library for non-linear numerical optimization.
* r-rcppensmallen: new package
---------
Co-authored-by: wdconinc <wdconinc@users.noreply.github.com>
* Improve lib/spack/spack/test/cmd/compiler.py
* Use "tmp_path" in the "mock_executable" fixture
* Return a pathlib.Path from mock_executable
* Fix mock_executable fixture on Windows
"mock_gcc" was very similar to mock_executable, so use the latter to reduce code duplication
* Remove wrong compiler cache, fix compiler removal
fixes#37996
_CACHE_CONFIG_FILES was both unneeded and wrong, if called
subsequently with different scopes.
Here we remove that cache, and we fix an issue with compiler
removal triggered by having the same compiler spec in multiple
scopes.
* e4s oneapi ci: use official intel oneapi-derived runner image
* update oneapi image
* tau builds ok, but only with libdrm - comment out for now, follow up with pr later
* Guard for define in netcdf 4.9.0 and later.
This code is already available in ParaView 5.11.0 so no patching
needed there.
* Add latest needed version (even if not in spack).
---------
Co-authored-by: Dan Lipsa <dan.lipsa@khq.kitware.com>
* llvm: add new versions and set default for libomptarget according to os
modified: var/spack/repos/builtin/packages/llvm/package.py
* Incorporate reviewer suggestions
Co-authored-by: Sergey Kosukhin <skosukhin@gmail.com>
---------
Co-authored-by: Sergey Kosukhin <skosukhin@gmail.com>
* e4s cray ci stack
* e4s ci: add cray
* add zen4 tag
* WIP: new defintions just for cray
* updates
* remove ci signing job overrride, not necessary
* echo $PATH and show modules loaded
* add mirror
* add external def for cray-libsci
* comment out quantum-espresso
* use /etc/protected-runner as key path
* cray ci stack: do not remove tags: [spack, public]
* make cray stack composable
* generate job should run on public tagged runner, override default config:install_tree:root
* CI: Use relative path in default script
* CI: Use relative includes paths for shell runners
* Use concrete_env_dir for relpath
* ml-darwin-aarch64-mps: jax has bazel codesign issue
---------
Co-authored-by: Scott Wittenburg <scott.wittenburg@kitware.com>
Co-authored-by: Ryan Krattiger <ryan.krattiger@kitware.com>
#37592 updated cached cmake packages to set CMAKE_CUDA_ARCHITECTURES.
The condition `if archs != "none"` lead to `CMAKE_CUDA_ARCHITECTURES=none`
when cuda_arch=none (incorrect check on the value of a multi-valued
variant), i.e. CMAKE_CUDA_ARCHITECTURES is always set. This PR udpates
the condition to if archs[0] != "none" to ensure CMAKE_CUDA_ARCHITECTURES
is only set if cuda_arch is not none (which seems to be the pattern used
in other packages).
This does the same for HIP (although in general ROCmPackage disallows
amdgpu_target=none when +rocm).
* fastqc: add 0.12.1
* fastqc: add 0.12.1
* Update var/spack/repos/builtin/packages/fastqc/package.py
Yeah, had considered doing the same, I'd just opted to maintain the status quo. All good.
Co-authored-by: Alec Scott <alec@bcs.sh>
* Update package.py
Style fiddles to make the bot contented.
---------
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
Co-authored-by: Alec Scott <alec@bcs.sh>
* py-htseq: add 0.12.3, switching over to new GitHub repo
* py-htseq: add 0.12.3, switching over to new GitHub repo
Style fixes
* py-htseq: add 2.0.3, switch to PyPI
* py-htseq: add 2.0.3, switch to PyPI
* Update package.py
* Update var/spack/repos/builtin/packages/py-htseq/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Removing SWIG
---------
Co-authored-by: LMS Bioinformatics <bioinformatics@lms.mrc.ac.uk>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* llvm: replace +omp_as_runtime with omp=runtime
* llvm: fetch 'libomp-libflags-as-list.patch' from upstream repo
* llvm: replace 'llvm14-hwloc-ompd.patch' with the official fix from upstream repo
* llvm: fix-up for the black reformatting
* llvm: fetch 'constexpr_longdouble.patch' from upstream repo
* llvm: optionally build libcxx as a runtime
* llvm: fetch 'llvm5-sanitizer-ustat.patch' from upstream repo
* llvm: update 'sanitizer-ipc_perm_mode.patch'
* llvm: refactor compiler conflicts when libcxx=project
* llvm: fetch 'llvm_python_path.patch' from upstream repo
* llvm: update comments and condition for 'xray_buffer_queue-cstddef.patch'
* llvm: optionally build compiler-rt as a runtime
* llvm: fetch 'lldb_external_ncurses-10.patch' from upstream repo
* llvm: fetch 'llvm_py37.patch' from upstream repo
* llvm: rename variant 'internal_unwind' to 'libunwind'
* llvm: optionally build libunwind as a runtime
* llvm: extend the list of maintainers
* llvm: allow for explicit '~clang~flang~libomptarget~lldb~omp_debug~z3'
* llvm: fetch 'llvm5-lld-ELF-Symbols.patch' from FreeBSD port repo
* llvm: fetch most of 'missing-includes.patch' from upstream repo and reuse 'llvm-gcc11.patch'
* llvm: regroup patches for missing include directives and drop compiler constraints for them
* llvm: fetch 'llvm-gcc11.patch' from upstream repo
* llvm: fetch 'no_cyclades.patch' from upstream repo
* llvm: update comments and condition for 'no_cyclades9.patch'
* llvm: rename variant 'omp' to 'openmp'
* llvm: constrain and rename variant 'omp_tsan' to 'libomp_tsan'
* llvm: rename variant 'omp_debug' to 'libomptarget_debug'
* llvm: do not apply same patch twice
* llvm: constrain and document the '*-thread.patch' patches
* llvm: document the '~lld+libomptarget' conflict
* llvm: update comments for the 'D133513.diff' patch
* py-future: add 0.18.3
* Update var/spack/repos/builtin/packages/py-future/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Adding libpsm3 package
* Make changes suggested by flake8
* Make one more flake8-suggested change, blank line after 'import os'
* Change to standard header to pass flake8 tests
* Update doc string, remove unnecessary comments
* Reviewer-recommende changes
* Alphabetize variants
* Use helper functions
* Change quotes to pass spack style check
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
- Add pkgconfig dependency from 1.23.0 onward.
- Add conflict of old versions with new gcc due to missing includes.
- Deprecate uneven minor versions because they are not regarded as stable.
- Add maintainer
* [xsdk-examples] Initial commit for v0.4.0
* [xsdk-examples] v0.4.0 depends on xsdk@0.8.0
* add in missing xsdk dependencies
* [xsdk-examples] remove repeated 'depends_on' directive
* [xsdk-examples] simplify and extend a bit the package
[mfem] process more optional dependencies of HiOp
[strumpack, superlu-dist] add a workaround for an issue on Mac
* [mfem] fix the handling of the hiop dependency
* [@spackbot] updating style on behalf of v-dobrev
* [xsdk-examples] enable 'heffte' and 'tasmanian' if enabled in 'xsdk'
* [xsdk-examples] Add PUMI dependency
* [xsdk-examples] Add preCICE dependency
* [xsdk-examples] add +rocm
* heffte: add in a backport fix for building xsdk-examples with cuda
* [xsdk] Remove the explicit requirement for deal.II to be built +hdf5
* ENABLE_ROCM -> ENABLE_HIP
* [hiop] Workaround for CMake not finding Cray's BLAS (libsci)
[xsdk-examples] Set CUDA/HIP architectures; sync cuda/rocm variants with xsdk
* [@spackbot] updating style on behalf of v-dobrev
* [exago] Workaround for CMake not finding Cray's LAPACK/BLAS, libsci
[mfem] Tweaks for running tests under Flux and PBS
* [slate] Pass CUDA/HIP architectures to CMake
* [heffte] For newer CMake versions, set CMAKE_CUDA_ARCHITECTURES
* [hypre] Patch v2.26.0 to fix sequential compilation in 'src/seq_mv'
* [xsdk-examples] Some tweaks in dependencies and compilers used
* [xsdk] Make the 'trilinos' variant sticky
[xsdk-examples] Tweak dependencies
* [slate] Fix copy-paste error
* [xsdk-examples] Workaround for CMakePackage not having the legacy
property 'build_directory'
* [xsdk-examples] Replace the testing branch used temporarily for v0.4.0 with
the official release
---------
Co-authored-by: Satish Balay <balay@mcs.anl.gov>
* Add CMake options for building with CUDA/HIP support to
CachedCMakePackages (intended to reduce duplication across packages
building with +hip/+cuda and using CachedCMakePackage)
* Define generic variables like CMAKE_PREFIX_PATH for
CachedCMakePackages (so that a user may invoke "cmake" themselves
without needing to setthem on the command line).
* Make `lbann` a CachedCMakePackage.
Co-authored-by: Chris White <white238@llnl.gov>
fa7719a changed syntax for specifying exact versions, which are
required for some compiler specs (including those read as part
of parsing a Cray manifest). This fixes that and also makes a
couple other improvements to manifest parsing.
* Instantiate compiler specs with exact versions (fixes#37893)
* fix slingshot network detection (CPE 22.10+ has libcxi.so
in /usr/lib64)
* "spack external find": add arg to ignore default dir for cray
manifests
This will build flux-security separately to have a flux-imp
that can be defined in a flux broker.toml. Note that the user
that wants a multi-user setup is recommended to create a view,
and then a system/broker.toml in flux config directory that
points to it.
Signed-off-by: vsoch <vsoch@users.noreply.github.com>
Co-authored-by: vsoch <vsoch@users.noreply.github.com>
Sphinx is used to build Open MPI manpages, etc. as part of the make dist
process to create release tarballs. There should be no need/use to do
this within Spack. Also some sites have older Sphinx installs which
aren't compatible with the needs of the Open MPI documentation.
For example, attempts to install openmpi@main fail at NERSC owing to
such a situation.
Since Spack normally is used to build from release tarballs, in which
the docs have already been installed, this should present no issues.
This configuration option will be ignored for older than 5.0.0 Open MPI releases.
Signed-off-by: Howard Pritchard <howardp@lanl.gov>
This option is needed for DFT FE - or more accurately the check needs to
be checked off for a number of platforms or else the code doesn't work.
Signed-off-by: Howard Pritchard <howardp@lanl.gov>
Change default naming scheme for tcl modules for a more user-friendly
experience.
Change from flat projection to "per software name" projection.
Flat naming scheme restrains module selection capabilities. The
`{name}/{version}...` scheme make possible to use user-friendly
mechanisms:
* implicit defaults (`module load git`)
* extended default (`module load git/2`)
* advanced version specifiers (`module load git@2:`)
* py-cutadapt: add 4.4, 4.3, 4.2 versions
* Update var/spack/repos/builtin/packages/py-cutadapt/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-cutadapt/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>
* Update PennyLane ecosystem for 0.30 release
* Update package dep versions
* Fix formatting
* Update dep versions
* Remove PL hard pin and rely on PLQ to define version
* Update var/spack/repos/builtin/packages/py-pennylane-lightning-kokkos/package.py
Co-authored-by: Vincent Michaud-Rioux <vincent.michaud-rioux@xanadu.ai>
* Convert pybind11 from build to link dep, and PL ver limit
---------
Co-authored-by: Vincent Michaud-Rioux <vincent.michaud-rioux@xanadu.ai>
Note the win-sdk package is not installable and reports an error
which instructs the user how to add it. Without this fix, a
(more confusing) error occurs before this message can be generated.
"spack build-env" was not generating proper environment variable
definitions on Windows; this commit updates the generated commands
to succeed with batch/PowerShell.
Add a nightly job to attempt building all Paraview dependencies and
upload the results to cdash. This check doesn't affect the reported
build/test status of Spack. We are using this to monitor the state of
Windows support while working on more-robust checks (eventually the
Windows build will have to succeed to merge PRs to Spack).
* Dyninst: add standalone test
* Add docstring with description
* Don't use join_path for builtin path objects
* Whitespace
* Update format of docstring
Some requirements for @main version of environment-modules were missing:
* python (to build ChangeLog documentation file)
* py-sphinx@1.0: (to build man-pages, etc)
Also adding gzip, which is now required to build ChangeLog.gz (which is
now shipped instead of ChangeLog).
Other versions are not requiring these tools (as documentation is
pre-built in dist tarball).
* [devito] Move to version 4.8.1
* Fix: Adding patch file
* Update var/spack/repos/builtin/packages/py-devito/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-devito/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Addressing @adamjstewart comments
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add macOS ML CI stacks
* torchmeta is no longer maintained and requires ancient PyTorch
* Add MXNet
* update darwin aarch64 stacks
* add darwin-aarch64 scoped config.yaml
* remove unnecessary cleanup job
* fix specifications
* fix labels
* fix labels
* fix indent on tags specification
* no tags for trigger jobs
* try overriding tags in stack spack.yaml
* do not use CI_STACK_CONFIG_SCOPES
* incorporate config:install_tree:root: overrides and compiler defs
* copy relevant ci-scoped config settings directly into stack spack.yaml
* remove build-job-remove
* spack ci generate: add debug flag
* include cdash config directly in stack spack.yaml
* customize build-job script section to avoid absolute paths
* add any-job specification
* tags: use aarch64-macos instead of aarch64
* generate tags: use aarch64-macos instead of aarch64
* do not add morepadding
* use shared mirror; comment out known failures
* remove any-job
* nproc || true
* comment out specs failing due to bazel from cache codesign issue
---------
Co-authored-by: eugeneswalker <eugenesunsetwalker@gmail.com>
* py-babel: add 2.12.1
* Update var/spack/repos/builtin/packages/py-babel/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
When attempting to build paraview@5.10.1 using a recent Intel
compiler (Classic or OneAPI) or the IBM XL compiler, the build
fails if the version of protobuf used is > 3.18
* [pcluster pipeline] Use local buildcache instead of upstream spack
Spack currently does not relocate compiler references from upstream spack
installations. When using a buildcache we don't need an upstream spack.
* gcc needs to be installed via postinstall to get correct deps
* quantum-espresso@gcc@12.3.0 returns ICE on neoverse_{n,v}1
* Force gitlab to pull the new container
* Revert "Force gitlab to pull the new container"
This reverts commit 3af5f4cd88.
Seems the gitlab version does not yet support "pull_policy" in .gitlab-ci.yml
* Gitlab keeps picking up wrong container. Renaming
* Update containers once more after failed build
* add version 1.48.0 to bioconductor package r-a4
* add version 1.48.0 to bioconductor package r-a4base
* add version 1.48.0 to bioconductor package r-a4classif
* add version 1.48.0 to bioconductor package r-a4core
* add version 1.48.0 to bioconductor package r-a4preproc
* add version 1.48.0 to bioconductor package r-a4reporting
* add version 1.54.0 to bioconductor package r-absseq
* add version 1.30.0 to bioconductor package r-acde
* add version 1.78.0 to bioconductor package r-acgh
* add version 2.56.0 to bioconductor package r-acme
* add version 1.70.0 to bioconductor package r-adsplit
* add version 1.72.0 to bioconductor package r-affxparser
* add version 1.78.0 to bioconductor package r-affy
* add version 1.76.0 to bioconductor package r-affycomp
* add version 1.58.0 to bioconductor package r-affycontam
* add version 1.72.0 to bioconductor package r-affycoretools
* add version 1.48.0 to bioconductor package r-affydata
* add version 1.52.0 to bioconductor package r-affyilm
* add version 1.70.0 to bioconductor package r-affyio
* add version 1.76.0 to bioconductor package r-affyplm
* add version 1.46.0 to bioconductor package r-affyrnadegradation
* add version 1.48.0 to bioconductor package r-agdex
* add version 3.32.0 to bioconductor package r-agilp
* add version 2.50.0 to bioconductor package r-agimicrorna
* add version 1.32.0 to bioconductor package r-aims
* add version 1.32.0 to bioconductor package r-aldex2
* add version 1.38.0 to bioconductor package r-allelicimbalance
* add version 1.26.0 to bioconductor package r-alpine
* add version 2.62.0 to bioconductor package r-altcdfenvs
* add version 2.24.0 to bioconductor package r-anaquin
* add version 1.28.0 to bioconductor package r-aneufinder
* add version 1.28.0 to bioconductor package r-aneufinderdata
* add version 1.72.0 to bioconductor package r-annaffy
* add version 1.78.0 to bioconductor package r-annotate
* add version 1.62.0 to bioconductor package r-annotationdbi
* add version 1.24.0 to bioconductor package r-annotationfilter
* add version 1.42.0 to bioconductor package r-annotationforge
* add version 3.8.0 to bioconductor package r-annotationhub
* add version 3.30.0 to bioconductor package r-aroma-light
* add version 1.32.0 to bioconductor package r-bamsignals
* add version 2.16.0 to bioconductor package r-beachmat
* add version 2.60.0 to bioconductor package r-biobase
* add version 2.8.0 to bioconductor package r-biocfilecache
* add version 0.46.0 to bioconductor package r-biocgeneric
* add version 1.10.0 to bioconductor package r-biocio
* add version 1.18.0 to bioconductor package r-biocneighbors
* add version 1.34.0 to bioconductor package r-biocparallel
* add version 1.16.0 to bioconductor package r-biocsingular
* add version 2.28.0 to bioconductor package r-biocstyle
* add version 3.17.1 to bioconductor package r-biocversion
* add version 2.56.0 to bioconductor package r-biomart
* add version 1.28.0 to bioconductor package r-biomformat
* add version 2.68.0 to bioconductor package r-biostrings
* add version 1.48.0 to bioconductor package r-biovizbase
* add version 1.10.0 to bioconductor package r-bluster
* add version 1.68.0 to bioconductor package r-bsgenome
* add version 1.36.0 to bioconductor package r-bsseq
* add version 1.42.0 to bioconductor package r-bumphunter
* add version 2.66.0 to bioconductor package r-category
* add version 2.30.0 to bioconductor package r-champ
* add version 2.32.0 to bioconductor package r-champdata
* add version 1.50.0 to bioconductor package r-chipseq
* add version 4.8.0 to bioconductor package r-clusterprofiler
* add version 1.36.0 to bioconductor package r-cner
* add version 1.32.0 to bioconductor package r-codex
* add version 2.16.0 to bioconductor package r-complexheatmap
* add version 1.74.0 to bioconductor package r-ctc
* add version 2.28.0 to bioconductor package r-decipher
* add version 0.26.0 to bioconductor package r-delayedarray
* add version 1.22.0 to bioconductor package r-delayedmatrixstats
* add version 1.40.0 to bioconductor package r-deseq2
* add version 1.46.0 to bioconductor package r-dexseq
* add version 1.42.0 to bioconductor package r-dirichletmultinomial
* add version 2.14.0 to bioconductor package r-dmrcate
* add version 1.74.0 to bioconductor package r-dnacopy
* add version 3.26.0 to bioconductor package r-dose
* add version 2.48.0 to bioconductor package r-dss
* add version 3.42.0 to bioconductor package r-edger
* add version 1.20.0 to bioconductor package r-enrichplot
* add version 2.24.0 to bioconductor package r-ensembldb
* add version 1.46.0 to bioconductor package r-exomecopy
* add version 2.8.0 to bioconductor package r-experimenthub
* add version 1.26.0 to bioconductor package r-fgsea
* add version 2.72.0 to bioconductor package r-gcrma
* add version 1.36.0 to bioconductor package r-gdsfmt
* add version 1.82.0 to bioconductor package r-genefilter
* add version 1.36.0 to bioconductor package r-genelendatabase
* add version 1.72.0 to bioconductor package r-genemeta
* add version 1.78.0 to bioconductor package r-geneplotter
* add version 1.22.0 to bioconductor package r-genie3
* add version 1.36.0 to bioconductor package r-genomeinfodb
* update r-genomeinfodbdata
* add version 1.36.0 to bioconductor package r-genomicalignments
* add version 1.52.0 to bioconductor package r-genomicfeatures
* add version 1.52.0 to bioconductor package r-genomicranges
* add version 2.68.0 to bioconductor package r-geoquery
* add version 1.48.0 to bioconductor package r-ggbio
* add version 3.8.0 to bioconductor package r-ggtree
* add version 2.10.0 to bioconductor package r-glimma
* add version 1.12.0 to bioconductor package r-glmgampoi
* add version 5.54.0 to bioconductor package r-globaltest
* update r-go-db
* add version 1.20.0 to bioconductor package r-gofuncr
* add version 2.26.0 to bioconductor package r-gosemsim
* add version 1.52.0 to bioconductor package r-goseq
* add version 2.66.0 to bioconductor package r-gostats
* add version 1.78.0 to bioconductor package r-graph
* add version 1.62.0 to bioconductor package r-gseabase
* add version 1.32.0 to bioconductor package r-gtrellis
* add version 1.44.0 to bioconductor package r-gviz
* add version 1.28.0 to bioconductor package r-hdf5array
* add version 1.72.0 to bioconductor package r-hypergraph
* add version 1.36.0 to bioconductor package r-illumina450probevariants-db
* add version 0.42.0 to bioconductor package r-illuminaio
* add version 1.74.0 to bioconductor package r-impute
* add version 1.38.0 to bioconductor package r-interactivedisplaybase
* add version 2.34.0 to bioconductor package r-iranges
* add version 1.60.0 to bioconductor package r-kegggraph
* add version 1.40.0 to bioconductor package r-keggrest
* add version 3.56.0 to bioconductor package r-limma
* add version 2.52.0 to bioconductor package r-lumi
* add version 1.76.0 to bioconductor package r-makecdfenv
* add version 1.78.0 to bioconductor package r-marray
* add version 1.12.0 to bioconductor package r-matrixgenerics
* add version 1.8.0 to bioconductor package r-metapod
* add version 2.46.0 to bioconductor package r-methylumi
* add version 1.46.0 to bioconductor package r-minfi
* add version 1.34.0 to bioconductor package r-missmethyl
* add version 1.80.0 to bioconductor package r-mlinterfaces
* add version 1.12.0 to bioconductor package r-mscoreutils
* add version 2.26.0 to bioconductor package r-msnbase
* add version 2.56.0 to bioconductor package r-multtest
* add version 1.38.0 to bioconductor package r-mzid
* add version 2.34.0 to bioconductor package r-mzr
* add version 1.62.0 to bioconductor package r-oligoclasses
* update r-org-hs-eg-db
* add version 1.42.0 to bioconductor package r-organismdbi
* add version 1.40.0 to bioconductor package r-pathview
* add version 1.92.0 to bioconductor package r-pcamethods
* update r-pfam-db
* add version 1.44.0 to bioconductor package r-phyloseq
* add version 1.62.0 to bioconductor package r-preprocesscore
* add version 1.32.0 to bioconductor package r-protgenerics
* add version 1.34.0 to bioconductor package r-quantro
* add version 2.32.0 to bioconductor package r-qvalue
* add version 1.76.0 to bioconductor package r-rbgl
* add version 2.40.0 to bioconductor package r-reportingtools
* add version 2.44.0 to bioconductor package r-rgraphviz
* add version 2.44.0 to bioconductor package r-rhdf5
* add version 1.12.0 to bioconductor package r-rhdf5filters
* add version 1.22.0 to bioconductor package r-rhdf5lib
* add version 1.76.0 to bioconductor package r-roc
* add version 1.28.0 to bioconductor package r-rots
* add version 2.16.0 to bioconductor package r-rsamtools
* add version 1.60.0 to bioconductor package r-rtracklayer
* add version 0.38.0 to bioconductor package r-s4vectors
* add version 1.8.0 to bioconductor package r-scaledmatrix
* add version 1.28.0 to bioconductor package r-scater
* add version 1.14.0 to bioconductor package r-scdblfinder
* add version 1.28.0 to bioconductor package r-scran
* add version 1.10.0 to bioconductor package r-scuttle
* add version 1.66.0 to bioconductor package r-seqlogo
* add version 1.58.0 to bioconductor package r-shortread
* add version 1.74.0 to bioconductor package r-siggenes
* add version 1.22.0 to bioconductor package r-singlecellexperiment
* add version 1.34.0 to bioconductor package r-snprelate
* add version 1.50.0 to bioconductor package r-snpstats
* add version 2.36.0 to bioconductor package r-somaticsignatures
* add version 1.12.0 to bioconductor package r-sparsematrixstats
* add version 1.40.0 to bioconductor package r-spem
* add version 1.38.0 to bioconductor package r-sseq
* add version 1.30.0 to bioconductor package r-summarizedexperiment
* add version 3.48.0 to bioconductor package r-sva
* add version 1.38.0 to bioconductor package r-tfbstools
* add version 1.22.0 to bioconductor package r-tmixclust
* add version 2.52.0 to bioconductor package r-topgo
* add version 1.24.0 to bioconductor package r-treeio
* add version 1.28.0 to bioconductor package r-tximport
* add version 1.28.0 to bioconductor package r-tximportdata
* add version 1.46.0 to bioconductor package r-variantannotation
* add version 3.68.0 to bioconductor package r-vsn
* add version 2.6.0 to bioconductor package r-watermelon
* add version 2.46.0 to bioconductor package r-xde
* add version 1.58.0 to bioconductor package r-xmapbridge
* add version 0.40.0 to bioconductor package r-xvector
* add version 1.26.0 to bioconductor package r-yapsa
* add version 1.26.0 to bioconductor package r-yarn
* add version 1.46.0 to bioconductor package r-zlibbioc
* Revert "add version 1.82.0 to bioconductor package r-genefilter"
This reverts commit 1702071c6d.
* Revert "add version 0.38.0 to bioconductor package r-s4vectors"
This reverts commit 58a7df2387.
* add version 0.38.0 to bioconductor package r-s4vectors
* Revert "add version 1.28.0 to bioconductor package r-aneufinder"
This reverts commit 0a1f59de6c.
* add version 1.28.0 to bioconductor package r-aneufinder
* Revert "add version 2.16.0 to bioconductor package r-beachmat"
This reverts commit cd49fb8e4c.
* add version 2.16.0 to bioconductor package r-beachmat
* Revert "add version 4.8.0 to bioconductor package r-clusterprofiler"
This reverts commit 6e9a951cbe.
* add version 4.8.0 to bioconductor package r-clusterprofiler
* Fix syntax error
* r-genefilter: add version 1.82.0
* new package: r-basilisk-utils
* new package: r-basilisk
* new package: r-densvis
* new package: r-dir-expiry
* r-affyplm: add zlib dependency
* r-cner: add zlib dependency
* r-mzr: add zlib dependency
* r-rhdf5filters: add zstd dependency
* r-shortread: add zlib dependency
* r-snpstats: add zlib dependency
---------
Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
macOS doesn't have `getrandom`, and 1.10.2 fails to compile because of this.
There's an upstream fix at https://dev.gnupg.org/T6442 that will be in the next
`libgcrypt` release, but the patch is available now.
* py-argcomplete: add 3.0.8
* Update var/spack/repos/builtin/packages/py-argcomplete/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* [@spackbot] updating style on behalf of manuelakuhn
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* aml: v0.2.1
* add version 0.2.1
* fix hip variant bug
* [fix] pkgconf required for all builds
On top of needing pkgconf for autoreconf builds, the release configure
scripts needs pkgconf do detect dependencies if any of the hwloc, ze, or
opencl variants are active.
* Remove deprecation for v0.2.0 based on PR advise.
* intel-xed: add version 2023.04.16
1. add version 2023.04.16
2. adjust the mbuild resource to better match the xed version at the time
3. replace three conflicts() with one new requires() for x86_64 target
4. add patch for libxed-ild for some new avx512 instructions
* [@spackbot] updating style on behalf of mwkrentel
* Fix the build for 2023.04.16. XED requires its source directory to be exactly 'xed', so add a symlink.
5. move the mbuild resource up one level, xed wants it to be in the same directory as the xed source dir
6. deprecate 10.2019.03
* semantic style fix: add OSError to except
* [@spackbot] updating style on behalf of mwkrentel
---------
Co-authored-by: mwkrentel <mwkrentel@users.noreply.github.com>
* py-jarvis-util: add a new package
* Apply suggestions from code review
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update py-nltk
* [@spackbot] updating style on behalf of meyersbs
* Update var/spack/repos/builtin/packages/py-nltk/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* add version 1.28.3 to r-hexbin
* add version 5.0-1 to r-hmisc
* add version 0.5.5 to r-htmltools
* add version 1.6.2 to r-htmlwidgets
* add version 1.4.2 to r-igraph
* add version 0.42.19 to r-imager
* add version 1.0-5 to r-inum
* add version 0.9-14 to r-ipred
* add version 1.3.2 to r-irkernel
* add version 2.2.0 to r-janitor
* add version 0.1-10 to r-jpeg
* add version 1.2.2 to r-jsonify
* add version 0.9-32 to r-kernlab
* add version 1.7-2 to r-klar
* add version 1.42 to r-knitr
* add version 1.14.0 to r-ks
* add version 2.11.0 to r-labelled
* add version 1.7.2.1 to r-lava
* add version 0.6-15 to r-lavaan
* add version 2.1.2 to r-leaflet
* add version 2.9-0 to r-lfe
* add version 1.1.6 to r-lhs
* add version 1.1-33 to r-lme4
* add version 1.5-9.7 to r-locfit
* add version 0.4.3 to r-log4r
* add version 5.6.18 to r-lpsolve
* add version 0.2-11 to r-lwgeom
* add version 2.7.4 to r-magick
* add version 1.22.1 to r-maldiquant
* add version 1.2.11 to r-mapproj
* add version 1.6 to r-markdown
* add version 7.3-59 to r-mass
* add version 1.5-4 to r-matrix
* add version 0.63.0 to r-matrixstats
* add version 4.2-3 to r-memuse
* add version 4.0-0 to r-metafor
* add version 1.8-42 to r-mgcv
* add version 3.15.0 to r-mice
* add version 0.4-5 to r-mitml
* add version 2.0.0 to r-mixtools
* add version 0.1.11 to r-modelr
* add version 1.4-23 to r-multcomp
* add version 0.1-9 to r-multcompview
* add version 0.1-13 to r-mutoss
* add version 1.18.1 to r-network
* add version 3.3.4 to r-nleqslv
* add version 3.1-162 to r-nlme
* add version 0.26 to r-nmf
* add version 0.60-17 to r-np
* add version 4.2.5.2 to r-openxlsx
* add version 2022.11-16 to r-ordinal
* add version 0.6.0.8 to r-osqp
* add version 0.9.1 to r-packrat
* add version 1.35.0 to r-parallelly
* add version 1.3-13 to r-party
* add version 1.2-20 to r-partykit
* add version 1.7-0 to r-pbapply
* add version 0.3-9 to r-pbdzmq
* add version 1.2 to r-pegas
* add version 1.5-1 to r-phytools
* add version 1.9.0 to r-pillar
* add version 1.4.0 to r-pkgbuild
* add version 2.1.0 to r-pkgcache
* add version 0.5.0 to r-pkgdepends
* add version 2.0.7 to r-pkgdown
* add version 1.3.2 to r-pkgload
* add version 0.1-8 to r-png
* add version 1.1.22 to r-polspline
* add version 1.0.1 to r-pool
* add version 1.4.1 to r-posterior
* add version 3.8.1 to r-processx
* add version 2023.03.31 to r-prodlim
* add version 1.0-12 to r-proj4
* add version 2.5.0 to r-projpred
* add version 0.1.6 to r-pryr
* add version 1.7.5 to r-ps
* add version 1.0.1 to r-purrr
* add version 1.3.2 to r-qqconf
* add version 0.25.5 to r-qs
* add version 1.60 to r-qtl
* add version 0.4.22 to r-quantmod
* add version 5.95 to r-quantreg
* add version 0.7.8 to r-questionr
* add version 1.2.5 to r-ragg
* add version 0.15.1 to r-ranger
* add version 3.6-20 to r-raster
* add version 2.2.13 to r-rbibutils
* add version 1.0.10 to r-rcpp
* add version 0.12.2.0.0 to r-rcpparmadillo
* add version 0.1.7 to r-rcppde
* add version 0.3.13 to r-rcppgsl
* add version 1.98-1.12 to r-rcurl
* add version 1.2-1 to r-rda
* add version 2.1.4 to r-readr
* add version 1.4.2 to r-readxl
* add version 1.0.6 to r-recipes
* add version 1.1.6 to r-repr
* add version 1.2.16 to r-reproducible
* add version 0.3.0 to r-require
* add version 1.28 to r-reticulate
* add version 2.0.7 to r-rfast
* add version 1.6-6 to r-rgdal
* add version 0.6-2 to r-rgeos
* add version 1.1.3 to r-rgl
* add version 0.2.18 to r-rinside
* add version 4-14 to r-rjags
* add version 1.3-1.8 to r-rjsonio
* add version 2.21 to r-rmarkdown
* add version 0.9-2 to r-rmpfr
* add version 0.7-1 to r-rmpi
* add version 6.6-0 to r-rms
* add version 0.10.25 to r-rmysql
* add version 0.8.7 to r-rncl
* add version 2.4.11 to r-rnexml
* add version 0.95-1 to r-robustbase
* add version 1.3-20 to r-rodbc
* add version 7.2.3 to r-roxygen2
* add version 1.4.5 to r-rpostgres
* add version 0.7-5 to r-rpostgresql
* add version 0.8.29 to r-rsconnect
* add version 0.4-15 to r-rsnns
* add version 2.3.1 to r-rsqlite
* add version 0.7.2 to r-rstatix
* add version 1.1.2 to r-s2
* add version 0.4.5 to r-sass
* add version 0.1.9 to r-scatterpie
* add version 0.3-43 to r-scatterplot3d
* add version 3.2.4 to r-scs
* add version 1.6-4 to r-segmented
* add version 4.2-30 to r-seqinr
* add version 0.26 to r-servr
* add version 4.3.0 to r-seurat
* add version 1.0-12 to r-sf
* add version 0.4.2 to r-sfheaders
* add version 1.1-15 to r-sfsmisc
* add version 1.7.4 to r-shiny
* add version 1.9.0 to r-signac
* add version 1.6.0.3 to r-smoof
* add version 0.1.7-1 to r-sourcetools
* add version 1.6-0 to r-sp
* add version 1.3-0 to r-spacetime
* add version 7.3-16 to r-spatial
* add version 2.0-0 to r-spatialeco
* add version 1.2-8 to r-spatialreg
* add version 3.0-5 to r-spatstat
* add version 3.0-1 to r-spatstat-data
* add version 3.1-0 to r-spatstat-explore
* add version 3.1-0 to r-spatstat-geom
* add version 3.1-0 to r-spatstat-linnet
* add version 3.1-4 to r-spatstat-random
* add version 3.0-1 to r-spatstat-sparse
* add version 3.0-2 to r-spatstat-utils
* add version 2.2.2 to r-spdata
* add version 1.2-8 to r-spdep
* add version 0.6-1 to r-stars
* add version 1.5.0 to r-statmod
* add version 4.8.0 to r-statnet-common
* add version 1.7.12 to r-stringi
* add version 1.5.0 to r-stringr
* add version 1.9.1 to r-styler
* add version 3.5-5 to r-survival
* add version 1.5-4 to r-tclust
* add version 1.7-29 to r-terra
* add version 3.1.7 to r-testthat
* add version 1.1-2 to r-th-data
* add version 1.2 to r-tictoc
* add version 1.3.2 to r-tidycensus
* add version 1.2.3 to r-tidygraph
* add version 1.3.0 to r-tidyr
* add version 2.0.0 to r-tidyverse
* add version 0.2.0 to r-timechange
* add version 0.45 to r-tinytex
* add version 0.4.1 to r-triebeard
* add version 1.0-9 to r-truncnorm
* add version 0.10-53 to r-tseries
* add version 0.8-1 to r-units
* add version 4.3.0 to r-v8
* add version 1.4-11 to r-vcd
* add version 1.14.0 to r-vcfr
* add version 0.6.2 to r-vctrs
* add version 1.1-8 to r-vgam
* add version 0.4.0 to r-vioplot
* add version 1.6.1 to r-vroom
* add version 1.72-1 to r-wgcna
* add version 0.4.1 to r-whisker
* add version 0.7.2 to r-wk
* add version 0.39 to r-xfun
* add version 1.7.5.1 to r-xgboost
* add version 1.0.7 to r-xlconnect
* add version 3.99-0.14 to r-xml
* add version 0.13.1 to r-xts
* add version 2.3.7 to r-yaml
* add version 2.3.0 to r-zip
* add version 1.8-12 to r-zoo
* r-bigmem: dependency on uuid
* r-bio3d: dependency on zlib
* r-devtools: dependency cleanup
* r-dose: dependency cleanup
* r-dss: dependency cleanup
* r-enrichplot: dependency cleanup
* r-fgsea: dependency cleanup
* r-geor: dependency cleanup
* r-ggridges: dependency cleanup
* r-lobstr: dependency cleanup
* r-lubridate: dependency cleanup
* r-mnormt: dependency cleanup
* r-sctransform: version format correction
* r-seuratobject: dependency cleanup
* r-tidyselect: dependency cleanup
* r-tweenr: dependency cleanup
* r-uwot: dependency cleanup
* new package: r-clock
* new package: r-conflicted
* new package: r-diagram
* new package: r-doby
* new package: r-httr2
* new package: r-kableextra
* new package: r-mclogit
* new package: r-memisc
* new package: r-spatstat-model
* r-rmysql: use mariadb-client
* r-snpstats: add zlib dependency
* r-qs: add zstd dependency
* r-rcppcnpy: add zlib dependency
* black reformatting
* Revert "r-dose: dependency cleanup"
This reverts commit 4c8ae8f5615ee124fff01ce43eddd3bb5d06b9bc.
* Revert "r-dss: dependency cleanup"
This reverts commit a6c5c15c617a9a688fdcfe2b70c501c3520d4706.
* Revert "r-enrichplot: dependency cleanup"
This reverts commit 65e116c18a94d885bc1a0ae667c1ef07d1fe5231.
* Revert "r-fgsea: dependency cleanup"
This reverts commit ffe2cdcd1f73f69d66167b941970ede0281b56d7.
* r-rda: this package is back in CRAN
* r-sctransform: fix copyright
* r-seurat: fix copyright
* r-seuratobject: fix copyright
* Revert "add version 6.0-94 to r-caret"
This reverts commit 236260597de97a800bfc699aec1cd1d0e3d1ac60.
* add version 6.0-94 to r-caret
* Revert "add version 1.8.5 to r-emmeans"
This reverts commit 64a129beb0bd88d5c88fab564cade16c03b956ec.
* add version 1.8.5 to r-emmeans
* Revert "add version 5.0-1 to r-hmisc"
This reverts commit 517643f4fd8793747365dfcfc264b894d2f783bd.
* add version 5.0-1 to r-hmisc
* Revert "add version 1.42 to r-knitr"
This reverts commit 2a0d9a4c1f0ba173f7423fed59ba725bac902c37.
* add version 1.42 to r-knitr
* Revert "add version 1.6 to r-markdown"
This reverts commit 4b5565844b5704559b819d2e775fe8dec625af99.
* add version 1.6 to r-markdown
* Revert "add version 0.26 to r-nmf"
This reverts commit 4c44a788b17848f2cda67b32312a342c0261caec.
* add version 0.26 to r-nmf
* Revert "add version 2.3.1 to r-rsqlite"
This reverts commit 5722ee2297276e4db8beee461d39014b0b17e420.
* add version 2.3.1 to r-rsqlite
* Revert "add version 1.0-12 to r-sf"
This reverts commit ee1734fd62cc02ca7a9359a87ed734f190575f69.
* add version 1.0-12 to r-sf
* fix syntax error
* Add FNAL Spack team to maintainers
* New variants and configuration improvements
* Version dependent "no-systemd" patches.
* New variants `client_only`, and `davix`
* Better handling of `cxxstd` for different versions, including
improved patching and CMake options.
* Version-specific CMake requirements.
* Better version-specific handling of `openssl` dependency.
* `py-setuptools` required for `+python` build.
* Specific enable/disable of CMake options and use of
`-DFORCE_ENABLED=TRUE` to prevent unwanted/non-portable activation
of features.
* Better handling of `+python` configuration.
* New version 5.5.5
Add aws-plcuster[-aarch64] stacks. These stacks build packages defined in
https://github.com/spack/spack-configs/tree/main/AWS/parallelcluster
They use a custom container from https://github.com/spack/gitlab-runners which
includes necessary ParallelCluster software to link and build as well as an
upstream spack installation with current GCC and dependencies.
Intel and ARM software is installed and used during the build stage but removed
from the buildcache before the signing stage.
Files `configs/linux/{arch}/ci.yaml` select the necessary providers in order to
build for specific architectures (icelake, skylake, neoverse_{n,v}1).
Make it clear that copy-only pipelines are not supported while still
using the deprecated ci config format. Also ensure that the deprecated
stack does not fail on spack pipelines for tags.
* Fix reporting of packageless specs as having no tests
* Add test_test_output_multiple_specs with update to simple-standalone-test (and tests)
* Refactored test status summary; added more tests or checks
MSVC compiler logic was using string parsing to extract version
from compiler spec, which was fragile. This broke in #37572, so has
been fixed and made more robust by using attribute access.
* CI: Expand E4S ROCm stack to include missing DaV packages
Ascent: Fixup for VTK-m with Kokkos backend
* DaV SDK: Removed duplicated openmp variant for ascent
* Drop visit and add conflict for Kokkos
* E4S: Drop ascent from CUDA builds
Ensure that requirements `packages:*:require:@x` and preferences `packages:*:version:[x]`
fail concretization when no version defined in the package satisfies `x`. This always holds
except for git versions -- they are defined on the fly.
In the past, Spack did not allow two different versions of the
same package within a DAG. That led to difficulties with packages
that still required Python 2 while other packages had already
switched to Python 3.
The libxcb and xcb-proto packages did not have Python 3 support
for a time. To get around this issue, Spack maintainers disabled
their dependency on an internal (i.e., Spack-provided) Python
(see #4145),forcing these packages to look for a system-provided
Python (see #7646).
This has worked for us all right, but with the arrival of our most
recent platform we seem to be missing the critical xcbgen Python
module on the system. Since most software has largely moved on to
Python 3 now, let's re-enable internal Spack dependencies for the
libxcb and xcb-proto packages.
Two bugs came in from #37438
1. `unify: when_possible` was broken, because of an incorrect assertion. abstract/concrete
spec pairs were compared against the results that were in the process of being computed,
rather than against the previous results.
2. `unify: true` had an ordering bug that could mix the association between abstract and
concrete specs
- [x] 1 is resolved by creating a lookup from old concrete specs to old abstract specs,
and we use that to associate the "new" concrete specs that happen to be the old
ones with their abstract specs (since those are stripped out for concretization
- [x] 2 is resolved by combining the new and old abstract as lists instead of combining
them as sets. This is important because `set() | set()` does not make any ordering
promises, even though set ordering is otherwise guaranteed in `python@3.7:`
* Upgrading kosh to 3.0.
* Accidentally regressed the package, changing back.
* Updating py-hdbscan versions for kosh.
* Fixing bug in patch.
* Adding 3.0.1
* Removing 3.0.
* Updating package deps for hdbscan to match requirements.txt.
* Version reqs for 3.0.*, need newer numpy and networkx
* spack style
* Reordering to match setup.py, adding "type" to python depends.
* trilinos@develop fixes
* Update var/spack/repos/builtin/packages/trilinos/package.py
Co-authored-by: Seth R. Johnson <johnsonsr@ornl.gov>
---------
Co-authored-by: Seth R. Johnson <johnsonsr@ornl.gov>
Spack displays package code context when it shouldn't (e.g., on `FetchError`s)
and doesn't display it when it should (e.g., when errors occur in builder classes.
The line attribution can sometimes be off by one, as well.
- [x] Display package context when errors occur in a subclass of `PackageBase`
- [x] Display package context when errors occur in a subclass of `BaseBuilder`
- [x] Do not display package context when errors occur in `PackageBase`,
`BaseBuilder` or other core code that is not in a `package.py` file.
- [x] Fix off-by-one error for core code (don't subtract one from the line number *unless*
it's in an actual `package.py` file.
---------
Co-authored-by: Todd Gamblin <tgamblin@llnl.gov>
We currently throw a nasty error if you try to reuse packages from some other namespace
(e.g., OLCF), but we should be able to reuse patched local versions of builtin packages.
Right now the only obstacle to that is that we try to look up virtual info for unknown
namespaces, and we can't get the package from the repo to do that. We *can* assume that
a package with a known namespace is similar, and that its virtual provider information
is reasonably accurate, so we now do that. This isn't 100% accurate, but neither is
relying on the package itself, as it may have gone out of date.
The real solution here is virtual edge information, but this is a stopgap until we have
that.
`spec_clauses()` attempts to look up package information for concrete specs in order to
determine which virtuals they may provide. This fails for renamed/deleted dependencies
of buildcaches and installed packages.
This will eventually be fixed by #35258, which adds virtual information on edges, but we
need a workaround to make older buildcaches usable.
- [x] make an exception for renamed packages and omit their virtual constraints
- [x] add a note that this will be solved by adding virtuals to edges
The concretizer can fail with `reuse:true` if a buildcache or installation contains a
package with a dependency that has been renamed or deleted in the main repo (e.g.,
`netcdf` was refactored to `netcdf-c`, `netcdf-fortran`, etc., but there are still
binary packages with dependencies called `netcdf`).
We should still be able to install things for which we are missing `package.py` files.
`Spec.inject_patches_variant()` was failing this requirement by attempting to look up
the package class for concrete specs. This isn't needed -- we can skip it.
- [x] swap two conditions in `Spec.inject_patches_variant()`
I will follow this up with a variant to flux-core to add flux-security, and then automation in the flux-framework/spack repository.
Signed-off-by: vsoch <vsoch@users.noreply.github.com>
Co-authored-by: vsoch <vsoch@users.noreply.github.com>
Clone `spack-configs <https://github.com/spack/spack-configs>`_ repo and activate Intel oneAPI CPU environment::
git clone https://github.com/spack/spack-configs
spack env activate spack-configs/INTEL/CPU
spack concretize -f
`Intel oneAPI CPU environment <https://github.com/spack/spack-configs/blob/main/INTEL/CPU/spack.yaml>`_ contains applications tested and validated by Intel, this list is constantly extended. And currently it supports:
-`GROMACS <https://www.gromacs.org/>`_
-`HPCG <https://www.hpcg-benchmark.org/>`_
-`HPL <https://netlib.org/benchmark/hpl/>`_
-`LAMMPS <https://www.lammps.org/#gsc.tab=0>`_
-`OpenFOAM <https://www.openfoam.com/>`_
-`STREAM <https://www.cs.virginia.edu/stream/>`_
-`WRF <https://github.com/wrf-model/WRF>`_
To build lammps with oneAPI compiler from this environment just run::
spack install lammps
Compiled binaries can be find using::
spack cd -i lammps
You can do the same for all other applications from this environment.
# For old cray compilers on module based systems we replace
# ``version_argument`` with the old value. Cannot be a property
# as the new value is used in classmethods for path-based detection
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