* Add a `py-gmxapi` package.
This package provides the Python package for the GROMACS
public API. The Python package is not strongly coupled to
a specific GROMACS _version_, but its compiled extension module
is strongly coupled to a specific GROMACS _installation_.
* Update conflict info.
In order to allow `^gromacs@2022.1` while rejecting `^gromacs@2022`,
we need to compare to `gromacs@2022.0`.
* Apply suggestions from code review
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Apply suggestions from code review.
* Simplify build system structure.
* Update dependencies for completeness.
* Update var/spack/repos/builtin/packages/py-gmxapi/package.py
Per code review, pretend gmxapi <0.4 doesn't exist, for simplicity.
* Update var/spack/repos/builtin/packages/py-gmxapi/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-gmxapi/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
a shared library /lib64/libcxi.so, which seems to also appear on other
non-slingshot systems. This patch also checks to make sure that there
is a Cray programming enviornment in /opt/cray/pe in addition to the
shared library.
* py-pygments 2.12; fix py-docutils, again
`2.12` is the latest for which our style hack works, beyond that we need
our own package to make a plugin.
Old docutils needs old setuptools
* py-setuptools is always a dep
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update the range
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
The Intel OneAPI's extreme pickiness continues to bring out
buggy/noncompliant code.
This patch fixes an error in the configure.in embedded 'c' test code
and also in a file with an initialized, but unused, variable.
Signed-off-by: Howard Pritchard <howardp@lanl.gov>
* Updates to release 0.6.
* Dep updates
* Dep version fix
* Another version fix
* Fix typo
* UFL version fix
* Update var/spack/repos/builtin/packages/py-fenics-dolfinx/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-fenics-ffcx/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Some updates following review
* Update var/spack/repos/builtin/packages/py-fenics-dolfinx/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* More updates
* More updates
* build/run updates
* Small fix
* Fix version number.
* specify lower bounds for python dependencies
* address style issues
* address style issues
* address PR comments
* amend setuptools dependency to be of type build only
* amend setuptools dependency to be of type run and build for ffcx and ufl
* add build dependency to ensure import tests pass
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: Matthew Archer <ma595@cam.ac.uk>
* py-dask-mpi: new package with dependencies
* py-hatch-jupyter-builder is not needed after all
* skip_modules seems cleaner
* Update var/spack/repos/builtin/packages/py-jupyter-server-proxy/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-simpervisor/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Flags `-fallow-argument-mismatch -fallow-invalid-boz` set in `FFLAGS`/`FCFLAGS`
environment variables don't really have effect in older versions of WRF, we need
to force them in the compiler wrappers.
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
With the last merge request for OOMMF [1], the intention was to have version
20b0_20220930 as the preferred version, and provide 20b0_20220930-vanilla as an
additional version for the unlikely case anybody needed that.
I made the (wrong) assumption that the `version` listed first in the `package.py` file
would be the preferred version. This merge request is to correct that by
explicitly tagging the preferred version with `preferred=True`.
[1] https://github.com/spack/spack/pull/33072/files
If the docbook packages
- docbook-xml
- docbook-xsl
are installed in a spack environment view the catalog files will be in
conflict in the view directory. This PR resolves that by adding an
appropriate prefix to each catalog name so that they are unique in the
view. The resulting XML_CATALOG_FILES environment variable will then be
able to point to both of them.
1. add version 2023.03.01
2. add variant 'python' that supports unwinding python source
3. clean up some things with the cray variant
4. require the latest libmonitor
5. fix sha256 checksum for url patch
6. delete rocm 5.3 from older versions
