* WIP NWChem with ARMCI-MPI and TCE optional
* rename armci-mpi to armcimpi
* add version for git
* add ARMCI-MPI support to NWChem package
EXTERNAL_ARMCI_PATH needs to be set to the ARMCI-MPI package install prefix.
I could not get it from spec["armcimpi"] but it worked to use the dependent build environment method to export a generic environmental variable to use instead.
* i suppose i can maintain NWChem as well
* check rejects option that dozens of packages use
i do not have time to fight with this nonsense
Run . share/spack/setup-env.sh
==> Error: armcimpi version 'master' has extra arguments: 'branch'
Valid arguments for a url fetcher are:
'url', 'sha256', 'md5', 'sha1', 'sha224', 'sha384', 'sha512', and 'checksum'
Error: Process completed with exit code 1.
* style
* ARMCI-MPI needs depends_on; the rest seems fixed
* fix ARMCI selection per review feedback from @zzzoom
https://github.com/spack/spack/pull/43883#discussion_r1585014147
* address reviewer feedback from @yizeyi18
https://github.com/spack/spack/pull/43883#discussion_r1587228084
elaborate on what +extratce does, in terms of the NWChem build environment variables,
some of which are documented on https://nwchemgit.github.io/TCE.html.
* style
* Update var/spack/repos/builtin/packages/nwchem/package.py
---------
Signed-off-by: Jeff Hammond <jeff.science@gmail.com>
Co-authored-by: Carlos Bederián <4043375+zzzoom@users.noreply.github.com>
* [TAU package] Update with +rocprofv2. Updated some tests.
pdated with +rocprofv2 flag. Only works with rocm-core >= 6.0.0
Can be tested with (Omnia):
spack install tau@master +rocm+rocprofv2 %gcc@11
Needs the last commit in our local repository, can be done by modifying the "git = " line, or waiting until the public one is updated.
In the case that tests cause issues when building TAU, there is the flag:
disable_tests = False
The rocm test is disabled by default, as the PR regarding tests loading dependencies is not solved (PR#43682).
* [@spackbot] updating style on behalf of jordialcaraz
---------
Co-authored-by: jordialcaraz <jordialcaraz@users.noreply.github.com>
* py-tensorflow: fix aarch64 build
* [@spackbot] updating style on behalf of aweits
* patch format
* change patch strategy, actually get the logic correct in
the patch
* only patch 2.16.1 onwards for aarch64
* __CUDACC__ not __NVCC__
* !(defined(__NVCC__) && defined(__CUDACC__))
---------
Co-authored-by: aweits <aweits@users.noreply.github.com>
We recently switched to using the new ReadTheDocs with "addons". That includes its own
analytics, which is nice, but we also want to continue using our GA4 analytics.
Adding GA4 is no longer supported by RTD, so we have to add it manually.
- [x] re-add the gtag to all pages, manually
Signed-off-by: Todd Gamblin <tgamblin@llnl.gov>
PR #43701 is broken, preventing scorep from being installed. As explained in #43700 the issue is internal to scorep and can not be fixed in the package, at least by the method being attempted here.
Adds a pre-concretization check for the Windows SDK and WGL (Windows
GL) packages as non-buildable externals.
This is a redo of https://github.com/spack/spack/pull/43459, but makes
sure to modify the configuration scope outside of the bootstrap scope:
whichever is highest-precedence in the user's environment at the time
the concretization runs, which should either be an env scope or the
~ scope.
Adds pytest fixture mocking the check for WGL and WSDK as if they were
present.
This PR gives users finer control over which specs are reused during concretization.
The value of the `concretizer:reuse` config option now can take an object with the following properties:
- `roots`: true if reusing roots, false if reusing just dependencies
- `exclude`: list of constraints used to select reusable specs
- `include`: list of constraints used to select reusable specs
- `from`: allows to select the sources of reused specs
### Examples
#### Reuse only specs compiled with GCC
```yaml
concretizer:
reuse:
roots: true
include:
- "%gcc"
```
#### `openmpi` must be used from externals, and it must be the only external used
```yaml
concretizer:
reuse:
roots: true
from:
- type: local
exclude:
- "openmpi"
- type: buildcache
exclude:
- "openmpi"
- type: external
include:
- "openmpi"
```
With v2.10+, ADIOS added a campaign manager. This is auto-enabled
if SQLite3 is found.
Add explicit control for it now and disables it by default, to avoid
picking up system dependencies or bloating by default the ADIOS2
dependencies. Also, not yet fully mature to be used by default:
https://github.com/ornladios/ADIOS2/issues/4148
* pypi build of py-simpy
* [py-simpy] toml explicitly called out
* py-simpy: New version
* py-setuptools-scm: Added new version
* py-setuptools-scm: add url_for_version
Because versions @:7 have an underscore (setuptools_scm) in the URL, and
newer versions have a dash (setuptools-scm).
* py-setuptools-scm: fix flake8 line too long
* py-simpy: Fix hash
---------
Co-authored-by: Sid Pendelberry <sid@rit.edu>
Co-authored-by: Jen Herting <jen@herting.cc>
