Commit graph

32099 commits

Author SHA1 Message Date
Benjamin Meyers
c3dc7a8349
py-fastfold add py-numpy upper bound (#34962) 2023-01-16 14:07:36 -08:00
iarspider
84d2c8a693
Add checksum for hwloc 2.9.0 (#34919) 2023-01-16 13:12:38 -08:00
Sebastian Ehlert
37b1bc9c26
Add package file for xtb and py-xtb (#34857)
* Add package file for xtb and py-xtb

* Retain maintainers from PythonPackage

* Update package files

- use extends("python") instead of tampering with PYTHONPATH
- use PyPI for downloading sdist of py-xtb
- add simple-dftd3 0.7.0
- add dftd4 3.5.0
- remove --wrap-mode=nodownload from toml-f

* Remove logic for download URL
2023-01-16 13:07:21 -08:00
Harmen Stoppels
3489cc0a9b
Refer to mirrors by name, path, or url (#34891)
With this change we get the invariant that `mirror.fetch_url` and
`mirror.push_url` return valid URLs, even when the backing config
file is actually using (relative) paths with potentially `$spack` and
`$env` like variables.

Secondly it avoids expanding mirror path / URLs too early,
so if I say `spack mirror add name ./path`, it stays `./path` in my
config. When it's retrieved through MirrorCollection() we
exand it to say `file://<env dir>/path` if `./path` was set in an
environment scope.

Thirdly, the interface is simplified for the relevant buildcache
commands, so it's more like `git push`:

```
spack buildcache create [mirror] [specs...]
```

`mirror` is either a mirror name, a path, or a URL.

Resolving the relevant mirror goes as follows:
    
- If it contains either / or \ it is used as an anonymous mirror with
   path or url.
- Otherwise, it's interpreted as a named mirror, which must exist.

This helps to guard against typos, e.g. typing `my-mirror` when there
is no such named mirror now errors with:

```
$ spack -e . buildcache create my-mirror
==> Error: no mirror named "my-mirror". Did you mean ./my-mirror?
```

instead of creating a directory in the current working directory. I
think this is reasonable, as the alternative (requiring that a local dir
exists) feels a bit pendantic in the general case -- spack is happy to
create the build cache dir when needed, saving a `mkdir`.

The old (now deprecated) format will still be available in Spack 0.20,
but is scheduled to be removed in 0.21:

```
spack buildcache create (--directory | --mirror-url | --mirror-name) [specs...]
```

This PR also touches `tmp_scope` in tests, because it didn't really
work for me, since spack fixes the possible --scope values once and
for all across tests, so tests failed when run out of order.
2023-01-16 10:14:41 -08:00
Auriane R
9a25e21da8
Add target propagation for pika package (#34924) 2023-01-16 17:57:50 +01:00
Alec Scott
d156e2ee91
Add py-python-lsp-server v1.7.0 (#34946) 2023-01-16 10:54:19 -06:00
Harmen Stoppels
891a63cae6
Revert "4th chunk of nf-core deps from update/nextflow-tools (#34564)" (#34960)
This reverts commit 4e63d92bc9.
2023-01-16 17:00:33 +01:00
eugeneswalker
886ea7c490
e4s: add py-h5py (#34914) 2023-01-16 15:52:24 +00:00
Glenn Johnson
fcf9c639ee
Make docbook-xml work across all entity versions (#34733)
Packages that use docbook-xml may specify a specific entity version.
When this is specified as a version constraint in the package recipe it
will cause problems when using `unify = True` in a Spack environment, as
there could be multiple versions of docbook-xml in the spec. In
practice, any entity version should work with any other version and
everything should work with the latest version. This PR maps all Spack
docbook-xml entity versions to the docbook-xml version in the spec.
Ideally, the version in the spec would be the latest version. With this
PR, even if a package specifies an older entity version, it will map
to the entity version (latest) in the spec. This means that there can be one
docbook-xml version in a Spack environment spec and packages requesting
older entity versions will still work.

To help facilitate this, docbook-xml version constraints for packages
that have them have been removed. Those packages are dbus and gtk-doc.
2023-01-16 16:03:03 +01:00
Marco De La Pierre
4e63d92bc9
4th chunk of nf-core deps from update/nextflow-tools (#34564) 2023-01-16 08:01:24 -07:00
Gilles Gouaillardet
17a67b9a56
fix libtool filter for Fujitsu compilers (#34916)
Since legit regular expressions are matched, do not pass string=True
to the filter

Refs #34897
2023-01-16 15:56:13 +01:00
Wouter Deconinck
904eefc930
harfbuzz: new version 5.3.1, 6.0.0 (fixes aarch64) (#34908)
A few new versions of harbuzz, but just jumping to the last non-6 version as preferred.

No build system changes:
- within 5 series: https://github.com/harfbuzz/harfbuzz/compare/5.1.0...5.3.1
- from 5 to 6: https://github.com/harfbuzz/harfbuzz/compare/5.3.1...6.0.0

The 5 series fixes a build issue for aarch64, https://github.com/harfbuzz/harfbuzz/issues/3768.
2023-01-16 15:55:03 +01:00
Jack Morrison
add8022490
Fix incorrect configuration file name in docs (#34925) 2023-01-16 14:52:08 +01:00
Glenn Johnson
645faad379
cp2k: add v2022.2, update CUDA settings (#34757) 2023-01-16 14:13:40 +01:00
Adam J. Stewart
d0866e4d02
Qt: patch additional config file (#34682) 2023-01-16 07:42:01 -05:00
Dan Bonachea
1095958cac
GASNet 2022.9.2 package update (#34942)
This allows client packages like UPC++ to display more precise version
information when their GASNet dependency was fetched from git.
2023-01-16 12:48:22 +01:00
Alec Scott
911e9edf07
Add Go v1.19.5, v1.18.10, and remove deprecated versions (#34594) 2023-01-16 12:46:20 +01:00
AMD Toolchain Support
b9048dbee9
AMD Optimized CPU Libraries: add v4.0 (#34681)
What's in AOCL 4.0:
1. amdblis
        LPGEMM variants with post-ops support
        AMD "Zen4" support for BLIS

2. amdlibflame
        Upgrade to LAPACK 3.10.1 specification
        Improvements in a few more variants of SVD and Eigen Value routines
        Multithread support enabled for selected APIs

3. amdfftw
        AVX-512 enablement of DFT kernels
        AVX-512 optimization of copy and transpose routines

5. amdlibm
        Black & Scholes support (logf, expf, erff, both scalar and vector)
        AVX-512 variants of vector functions

6. aocl-sparse
        New Iterative Solver APIs
        AVX-512 support for SPMV API

7. amdscalapack
        Upgrade to Netlib ScaLAPACK 2.2.0

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-01-16 12:05:31 +01:00
Cory Bloor
55f71e41d5
rocsolver: expand version compatibility with fmt (#34941) 2023-01-16 11:14:13 +01:00
Alec Scott
07ee8e99ca
restic: add v0.15.0 (#34945) 2023-01-16 11:03:07 +01:00
Alec Scott
307a8f8565
rclone: add v1.61.1 and deprecate old versions due to CVE-2020-28924 (#34944) 2023-01-16 10:59:04 +01:00
Alec Scott
1ca7da4831
Add v0.109.0 and deprecate versions < v0.79.1 due to a CVE (#34943) 2023-01-16 10:57:55 +01:00
eugeneswalker
b9a16a599a
e4s ci: py-libensemble: activate variants (#34915) 2023-01-16 10:57:28 +01:00
Jonathan R. Madsen
590adf57d2
omnitrace: add new versions (#34955)
- v1.5.0
- v1.6.0
- v1.7.0
- v1.7.1
- v1.7.2
- v1.7.3
- v1.7.4
2023-01-16 10:47:10 +01:00
dependabot[bot]
d45c228401
build(deps): bump actions/setup-python from 4.4.0 to 4.5.0 (#34939)
Bumps [actions/setup-python](https://github.com/actions/setup-python) from 4.4.0 to 4.5.0.
- [Release notes](https://github.com/actions/setup-python/releases)
- [Commits](5ccb29d877...d27e3f3d7c)

---
updated-dependencies:
- dependency-name: actions/setup-python
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
2023-01-16 10:33:12 +01:00
Adam J. Stewart
d0cb5efa3b
py-segmentation-models-pytorch: add v0.3.2 (#34853) 2023-01-16 10:10:40 +01:00
Adam J. Stewart
5f4b736006
Drop Python 3.6 again (#34442) 2023-01-16 10:09:40 +01:00
Auriane R
c7d1746064
Fix version number for fmt dependency of pika package (#34922) 2023-01-16 01:07:08 -08:00
SXS Bot
a1889440d7
spectre: add v2023.01.13 (#34929)
Co-authored-by: sxs-bot <sxs-bot@users.noreply.github.com>
2023-01-14 23:21:59 -08:00
Christopher Christofi
f521c31657
py-annoy: new package with version 1.17.1 (#34911)
* py-annoy: add 1.17.1

* add version specifier on dependency package
2023-01-14 17:21:56 -08:00
Todd Gamblin
d4e714bb2e
spack list: add --count option (#34950)
Sometimes I just want to know how many packages of a certain type there are.

- [x] add `--count` option to `spack list` that output the number of packages that
      *would* be listed.

```console
> spack list --count
6864
> spack list --count py-
2040
> spack list --count r-
1162
```
2023-01-14 16:08:40 -08:00
John W. Parent
ff38ff25cb
Support windows paths in a spec (#34405)
Refactor Spack's spec syntax parsing to handle Windows style paths
Amend unit tests to reflect this updated behavior.
2023-01-14 07:52:37 +01:00
Dominik Thoennes
6e95417c98
trilinos: enable mumps solver in amesos2 if variant is set (#34927)
* enable mumps solver in amesos2 if variant is set for trilinos
* fix formatting
2023-01-13 21:08:22 -08:00
Cyrus Harrison
4727a9b976
add conduit 0.8.6 release (#34894) 2023-01-13 20:53:21 -08:00
John W. Parent
44c69cadf4
Proper scons executable on Windows (#34934) 2023-01-13 19:28:29 -08:00
Dr. Christian Tacke
1034b23320
slurm: Add Version 22-05-7-1 (#34902) 2023-01-13 19:23:26 -08:00
Paul R. C. Kent
ef9049feac
Add 15.0.7 (#34912) 2023-01-13 19:18:24 -08:00
Sam Grayson
f6006445da
Add parsl-monitoring (#34769)
* Add packages

* Style

* Respond to comments

* Change conflct dep type

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
2023-01-13 17:07:39 -06:00
eugeneswalker
2c87f59d36
py-gevent%oneapi@2023.0.0: -Wno-error=incompatible-function-pointer-types (#34901) 2023-01-13 17:06:16 -06:00
kwryankrattiger
229ee7cad9
Paraview rocm (#34790)
* paraview: add `rocm` variant

This conflicts with CUDA and requires at least ParaView 5.11.0. More
dependencies are also needed.

* E4S: Add ParaView for ROCm and CUDA stacks

* DAV SDK: Update ParaView version and GPU variants

* Verify using hipcc vs amdclang++ for newer hip

Co-authored-by: Ben Boeckel <ben.boeckel@kitware.com>
2023-01-13 12:41:57 -06:00
Marco De La Pierre
85e2fb0c4d
Adding py-strawberryfields from Xanadu, and its deps (#34849)
* adding 1st version of py-strawberryfields

* py-strawberryfields: minor edit

* added backbone for 4x new SF dependencies

* edits to SF and its 4x new deps

* added all deps for SF

* added one version to py-lark-parser

* py-quantum-xir with tarball from github

* Update var/spack/repos/builtin/packages/py-strawberryfields/package.py

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>

* updated version for py-quantum-xir : pypy fixed

* py-pennylane: added pythonpackage.maintainers, too

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
2023-01-13 10:39:29 -08:00
Todd Gamblin
88a604e7f4
config: make path replacements lazy (#34758)
Currently, all of the replacements in `spack.util.path.replacements()` get evaluated for
each replacement. This makes it easy to get bootstrap issues, because config is used
very early on in Spack.

Right now, if I run `test_autotools_gnuconfig_replacement_no_gnuconfig` on my M1 mac, I
get the circular reference error below. This fixes the issue by making all of the path
replacements lazy lambdas.

As a bonus, this cleans up the way we do substitution for `$env` -- it's consistent with
other substitutions now.

- [x] make all path `replacements()` lazy
- [x] clean up handling of `$env`

```console
> spack unit-test -k test_autotools_gnuconfig_replacement_no_gnuconfig

...

==> [2022-12-31-15:44:21.771459] Error: AttributeError:

The 'autotools-config-replacement' package cannot find an attribute while trying to build from sources. This might be due to a change in Spack's package format to support multiple build-systems for a single package. You can fix this by updating the build recipe, and you can also report the issue as a bug. More information at https://spack.readthedocs.io/en/latest/packaging_guide.html#installation-procedure

/Users/gamblin2/src/spack/lib/spack/spack/package_base.py:1332, in prefix:
       1330    @property
       1331    def prefix(self):
  >>   1332        """Get the prefix into which this package should be installed."""
       1333        return self.spec.prefix

Traceback (most recent call last):
  File "/Users/gamblin2/src/spack/lib/spack/spack/build_environment.py", line 1030, in _setup_pkg_and_run
    kwargs["env_modifications"] = setup_package(
                                  ^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/build_environment.py", line 757, in setup_package
    set_module_variables_for_package(pkg)
  File "/Users/gamblin2/src/spack/lib/spack/spack/build_environment.py", line 596, in set_module_variables_for_package
    m.std_cmake_args = spack.build_systems.cmake.CMakeBuilder.std_args(pkg)
                       ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/build_systems/cmake.py", line 241, in std_args
    define("CMAKE_INSTALL_PREFIX", pkg.prefix),
                                   ^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/package_base.py", line 1333, in prefix
    return self.spec.prefix
           ^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/spec.py", line 1710, in prefix
    self.prefix = spack.store.layout.path_for_spec(self)
                  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/directory_layout.py", line 336, in path_for_spec
    path = self.relative_path_for_spec(spec)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/directory_layout.py", line 106, in relative_path_for_spec
    projection = spack.projections.get_projection(self.projections, spec)
                 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/projections.py", line 13, in get_projection
    if spec.satisfies(spec_like, strict=True):
       ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/spec.py", line 3642, in satisfies
    if not self.virtual and other.virtual:
           ^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/spec.py", line 1622, in virtual
    return spack.repo.path.is_virtual(self.name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/repo.py", line 890, in is_virtual
    return have_name and pkg_name in self.provider_index
                                     ^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/repo.py", line 770, in provider_index
    self._provider_index.merge(repo.provider_index)
                               ^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/repo.py", line 1096, in provider_index
    return self.index["providers"]
           ~~~~~~~~~~^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/repo.py", line 592, in __getitem__
    self._build_all_indexes()
  File "/Users/gamblin2/src/spack/lib/spack/spack/repo.py", line 607, in _build_all_indexes
    self.indexes[name] = self._build_index(name, indexer)
                         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/spack/repo.py", line 616, in _build_index
    index_mtime = self.cache.mtime(cache_filename)
                  ^^^^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/llnl/util/lang.py", line 826, in __getattr__
    return getattr(self.instance, name)
                   ^^^^^^^^^^^^^
  File "/Users/gamblin2/src/spack/lib/spack/llnl/util/lang.py", line 825, in __getattr__
    raise AttributeError()
AttributeError
```
2023-01-13 10:27:07 -08:00
Seth R. Johnson
33859d3d5f
Celeritas: new versions 0.1.4 and 0.2.0 (#34883) 2023-01-13 09:44:29 -08:00
Brian Van Essen
68ce49a57b
libfabric can now find external installation (#33796)
* Added support for libfabric to find an external installation and
identify variants supported.

* Change the fabrics definition to only include CXI when on a cray
system with a libfabric-based slingshot network.

* Added a conflict when trying to build the CXI fabric value since it is
only available as closed source at this time.
2023-01-12 23:53:33 -08:00
John W. Parent
92b7f63365
Ninja package: resolve circular dependency (#34887)
#33128 Introduces a dependency on re2c into the Ninja build recipe.
This is problematic on Windows as we use CMake to build re2c, and
Ninja to drive the CMake build. This PR resolves this issue by
adding a variant to toggle the use of re2c with ninja.
2023-01-12 17:31:58 -08:00
Adam J. Stewart
a1930e36e7
py-matplotlib: add v3.6.3 (#34903) 2023-01-12 16:23:20 -08:00
Jeremy L Thompson
897f812a70
ratel - add version 0.2.1 (#34895)
* ratel - add version 0.2.0
* ratel - use patch release 0.2.1 b/c tet test bug
2023-01-12 14:01:37 -08:00
Derek Ryan Strong
b7f41638fd
Add fpart package (#34896)
* Add fpart package
* Use default autoreconf implementation
* Switch copyright year
2023-01-12 12:52:57 -08:00
Brian Van Essen
e804671fc0
bugfix rmda-core external find library (#34484)
* Added a more robust check for an external version of the library.
Included a guard to identify when the library gives no discernible
version information and then to substitute with "unknown_ver"
identifier.
2023-01-12 11:41:17 -08:00
Tamara Dahlgren
c0b458e38a
Documentation: Add installation policy to packaging guide (#34878) 2023-01-12 11:01:35 -08:00