* Revise description of patch variant.
* Add qmcpack variant. Apply QE-to-QMCPACK wave function converter patch.
* Clean-up, document, and re-organize.
* ELPA patches did not nead when=`+patch` variant.
* Need to be more precise here with QE version numbers.
* satisfies seems to be necessary here in order to get correct behaviour.
* Buglet with zlib link line.
* Update var/spack/repos/builtin/packages/quantum-espresso/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/quantum-espresso/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Fix for QE-to-QMCPACK wave function converter w.r.t. QE 6.3. Also adjust comments to reflect changes in code.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* For tests that use the real Spack package repository, the config
needs to avoid using MPI providers that are not intended to be
installed by Spack. Without this, it is possible that Spack tests
which concretize the MPI virtual will end up trying to use an
implementation that it shouldn't (e.g. one that is always
provided externally). See #15666 for an example.
* The mutable_config test fixture was not initializing the scope
roots to the right directories (so the resulting config was empty).
* The current_host fixture in the concretize.py tests was using the
config fixture rather than mutable_config, and was polluting the
config cache for other tests.
* One test in concretize.py was clearing a nonexistent cache
(PackagePrefs._packages_config_cache). This reference has been
removed.
* The test 'test_preferred_compilers' was was depending on cross
test config pollution to succeed. The initial spec before
concretization has been updated to updated to be explicit about
the desired result.
* dev-build: --drop-in <shell>
Add a `--drop-in <shell>` option to `spack dev-build`.
This option will automatically run a
`spack build-env <spec> -- <shell>` at the end of a `dev-build`, e.g.
to quickly drop-and-devel into a build phase of a package.
Example usage:
```
spack dev-build --before cmake --drop-in bash openpmd-api@develop
```
* build_env: drop in unit test
Co-authored-by: Greg Becker <becker33@llnl.gov>
mfem variant hypre is now rolled into variant mpi - so update spec accordingly
mfem@4.0.1-xsdk+superlu-dist is broken and unsupported - so disable it
with the addition of py-petsc4py@3.13.0 - conretizer gets confused and is not picking py-petsc4py@3.12.0 as a compatible dependency with petsc@3.12. So manually specify it.
Also depends_on('py-libensemble@0.5.2+petsc4py ^py-petsc4py@3.12.0' causes concretizer to hang forever
Generally speaking, errors that are encountered when attempting to load
command extensions now terminate the running Spack instance.
* Added new exceptions `spack.cmd.PythonNameError` and
`spack.cmd.CommandNameError`.
* New functions `spack.cmd.require_python_name(pname)` and
`spack.cmd.require_cmd_name(cname)` check that `pname` and `cname`
respectively meet requirements, throwing the appropriate error if not.
* `spack.cmd.get_module()` uses `require_cmd_name()` and passes through
exceptions from module load attempts.
* `spack.cmd.get_command()` uses `require_cmd_name()` and invokes
`get_module()` with the correct command-name form rather than the
previous (incorrect) Python name.
* Added New exceptions `spack.extensions.CommandNotFoundError` and
`spack.extensions.ExtensionNamingError`.
* `_extension_regexp` has a new leading underscore to indicate expected
privacy.
* `spack.extensions.extension_name()` raises an `ExtensionNamingError`
rather than using `tty.warn()`.
* `spack.extensions.load_command_extension()` checks command source
existence early and bails out if missing. Also, exceptions raised by
`load_module_from_file()` are passed through.
* `spack.extensions.get_module()` raises `CommandNotFoundError` as
appropriate.
* Spack `main()` allows `parser.add_command()` exceptions to cause
program end.
Tests:
* More common boilerplate has been pulled out into fixtures including
`sys.modules` dictionary cleanup and resource-managed creation of a
simple command extension with specified contents in the source file
for a single named command.
* "Hello, World!" test now uses a command named `hello-world` instead of
`hello` in order to verify correct handling of commands with hyphens.
* New tests for:
* Missing (or misnamed) command.
* Badly-named extension.
* Verification that errors encountered during import of a command are
propagated upward.
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
