* 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>
