Commit graph

34499 commits

Author SHA1 Message Date
Adrien Berchet
15f6368c7f
Add geomdl package (#40933) 2023-11-11 15:55:08 -06:00
Terry Cojean
57b63228ce
Ginkgo: 1.7.0, change compatibility, update option oneapi->sycl (#40874)
Signed-off-by: Terry Cojean <terry.cojean@kit.edu>
2023-11-11 09:00:52 -06:00
Greg Becker
13abfb7013
spack deconcretize command (#38803)
We have two ways to concretize now:
* `spack concretize` concretizes only the root specs that are not concrete in the environment.
* `spack concretize -f` eliminates all cached concretization data and reconcretizes the *entire* environment.

This PR adds `spack deconcretize`, which eliminates cached concretization data for a spec.  This allows
users greater control over what is preserved from their `spack.lock` file and what is reused when not
using `spack concretize -f`.  If you want to update a spec installed in your environment, you can call
`spack deconcretize` on it, and that spec and any relevant dependents will be removed from the lock file.

`spack concretize` has two options:
* `--root`: limits deconcretized specs to *specific* roots in the environment. You can use this to
  deconcretize exactly one root in a `unify: false` environment.  i.e., if `foo` root is a dependent
  of `bar`, both roots, `spack deconcretize bar` will *not* deconcretize `foo`.
* `--all`: deconcretize *all* specs that match the input spec. By default `spack deconcretize`
  will complain about multiple matches, like `spack uninstall`.
2023-11-10 14:55:35 -08:00
Nils Lehmann
b41fc1ec79
new release (#41010) 2023-11-10 11:52:59 -07:00
Henri Menke
124e41da23
libpspio 0.3.0 (#40953)
Co-authored-by: Alec Scott <alec@bcs.sh>
2023-11-10 09:48:50 -08:00
Massimiliano Culpo
f6039d1d45
builtin.repo: fix ^mkl pattern in minor packages (#41003)
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
2023-11-10 17:18:24 +01:00
Victoria Cherkas
8871bd5ba5
fdb: add dependency on eckit later release (#40737)
* depends_on("eckit@1.24.4:", when="@5.11.22:")

* Update var/spack/repos/builtin/packages/fdb/package.py

Co-authored-by: Alec Scott <alec@bcs.sh>

* make latest tagged release the default install

* revert f258f46660

---------

Co-authored-by: Alec Scott <alec@bcs.sh>
2023-11-10 07:54:25 -08:00
Cody Balos
efe85755d8
alquimia: apply patch for iso_c_binding to latest version (#40989) 2023-11-10 08:31:38 -06:00
Cody Balos
7aaa17856d
pflotran: tweak for building with xsdk rocm/hip (#40990) 2023-11-10 08:30:35 -06:00
Massimiliano Culpo
fbf02b561a
gromacs et al: fix ^mkl pattern (#41002)
The ^mkl pattern was used to refer to three packages
even though none of software using it was depending
on "mkl".

This pattern, which follows Hyrum's law, is now being
removed in favor of a more explicit one.

In this PR gromacs, abinit, lammps, and quantum-espresso
are modified.

Intel packages are also modified to provide "lapack"
and "blas" together.
2023-11-10 13:56:04 +00:00
Harmen Stoppels
4027a2139b
env: compute env mods only for installed roots (#40997)
And improve the error message (load vs unload).

Of course you could have some uninstalled dependency too, but as long as
it doesn't implement `setup_run_environment` etc, I don't think it hurts
to attempt to load the root anyways, given that failure to do so is a
warning, not a fatal error.
2023-11-10 12:32:48 +01:00
Todd Gamblin
f0ced1af42
info: rework spack info command to display variants better (#40998)
This changes variant display to use a much more legible format, and to use screen space
much better (particularly on narrow terminals). It also adds color the variant display
to match other parts of `spack info`.

Descriptions and variant value lists that were frequently squished into a tiny column
before now have closer to the full terminal width.

This change also preserves any whitespace formatting present in `package.py`, so package
maintainers can make easer-to-read descriptions of variant values if they want. For
example, `gasnet` has had a nice description of the `conduits` variant for a while, but
it was wrapped and made illegible by `spack info`. That is now fixed and the original
newlines are kept.

Conditional variants are grouped by their when clauses by default, but if you do not
like the grouping, you can display all the variants in order with `--variants-by-name`.
I'm not sure when people will prefer this, but it makes it easier to tell that a
particular variant is/isn't there. I do think grouping by `when` is the better default.
2023-11-10 12:31:28 +01:00
David Boehme
2e45edf4e3
Add adiak v0.4.0 (#40993)
* Add adiak v0.4.0
* Fix style checks
2023-11-09 21:23:00 -07:00
Adam J. Stewart
4bcfb01566
py-black: add v23.10: (#40959) 2023-11-10 00:10:28 +01:00
Adam J. Stewart
b8bb8a70ce
PyTorch: specify CUDA root directory (#40855) 2023-11-09 14:25:54 -08:00
Hariharan Devarajan
dd2b436b5a
new release cpp-logger v0.0.2 (#40972) 2023-11-09 13:08:04 -08:00
Hariharan Devarajan
da2cc2351c
Release Gotcha v1.0.5 (#40973) 2023-11-09 13:06:56 -08:00
eugeneswalker
383ec19a0c
Revert "Deactivate Cray sles, due to unavailable runner (#40291)" (#40910)
This reverts commit 4b06862a7f.
2023-11-09 12:24:18 -08:00
Todd Gamblin
45f8a0e42c
docs: tweak formatting of +: and -: operators (#40988)
Just trying to make these stand out a bit more in the docs.
2023-11-09 19:55:29 +00:00
Dom Heinzeller
4636a7f14f
Add symlinks for hdf5 library names when built in debug mode (#40965)
* Add symlinks for hdf5 library names when built in debug mode
* Only apply bug fix for debug libs when build type is Debug
2023-11-09 11:40:53 -08:00
Kelly (KT) Thompson
38f3f57a54
[lcov] Add build and runtime deps necessary for lcov@2.0.0: (#40974)
* [lcov] Add build and runtime deps necessary for lcov@2.0.0:
   + Many additional Perl package dependecies are required for the new version of lcov.
   + Some of the new dependencies were not known to spack until now.
* Style fix
2023-11-09 11:37:38 -08:00
Satish Balay
b17d7cd0e6
mfem: add hipblas dependency for superlu-dist (#40981) 2023-11-09 11:19:48 -08:00
Satish Balay
b5e2f23b6c
hypre: add in hipblas dependency due to superlu-dist (#40980) 2023-11-09 11:03:03 -08:00
Brian Van Essen
7a4df732e1
DiHydrogen, Hydrogen, and Aluminum CachedCMakePackage (#39714) 2023-11-09 19:08:37 +01:00
George Young
7e6aaf9458
py-macs3: adding zlib dependency (#40979) 2023-11-09 16:44:24 +01:00
Cody Balos
2d35d29e0f
sundials: add v6.6.2 (#40920) 2023-11-09 07:38:40 -06:00
Scott Wittenburg
1baed0d833
buildcache: skip unrecognized metadata files (#40941)
This commit improves forward compatibility of Spack with newer build cache metadata formats.

Before this commit, invalid or unrecognized metadata would be fatal errors, now they just cause
a mirror to be skipped.

Co-authored-by: Harmen Stoppels <me@harmenstoppels.nl>
2023-11-09 13:30:41 +00:00
Harmen Stoppels
cadc2a1aa5
Set version to 0.22.0.dev0 (#40975) 2023-11-09 10:02:29 +01:00
Satish Balay
78449ba92b
intel-oneapi-mkl: do not set __INTEL_POST_CFLAGS env variable (#40947)
This triggers warnings from icx compiler - that breaks petsc configure

$ I_MPI_CC=icx /opt/intel/oneapi/mpi/2021.7.0/bin/mpiicc -E a.c > /dev/null
$ __INTEL_POST_CFLAGS=-Wl,-rpath,/opt/intel/oneapi/mkl/2022.2.0/lib/intel64 I_MPI_CC=icx /opt/intel/oneapi/mpi/2021.7.0/bin/mpiicc -E a.c > /dev/null
icx: warning: -Wl,-rpath,/opt/intel/oneapi/mkl/2022.2.0/lib/intel64: 'linker' input unused [-Wunused-command-line-argument]
2023-11-09 08:40:12 +01:00
Massimiliano Culpo
26d6bfbb7f
modules: remove deprecated code and test data (#40966)
This removes a few deprecated attributes from the
schema of the "modules" section. Test data for
deprecated options is removed as well.
2023-11-09 08:15:46 +01:00
Sergio Sánchez Ramírez
3405fe60f1
libgit2: add python as test dependency (#40863)
Libgit2 requires python as build dependency. I was getting an error because it was falling back to system Python which is compiled with Intel compilers and thus, `libgit2` was failing because it couldn't find `libimf.so` (which doesn't make sense).

Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
2023-11-08 23:20:55 +01:00
Harmen Stoppels
53c266b161
modules: restore exclude_implicits (#40958) 2023-11-08 22:56:55 +01:00
Thomas Madlener
ed8ecc469e
podio: Add the latest tag (0.17.2) (#40956)
* podio: Add myself as maintainer
* podio: Add 0.17.2 tag
2023-11-08 14:53:23 -07:00
Harmen Stoppels
b2840acd52
Revert "defaults/modules.yaml: hide implicits (#40906)" (#40955)
This reverts commit a2f00886e9.
2023-11-08 14:33:50 -07:00
Tom Vander Aa
c35250b313
libevent: always autogen.sh (#40945)
The libevent release tarballs ship with a `configure` script generated by an old `libtool`. The `libtool` generated by `configure` is not compatible with `MACOSX_DEPLOYMENT_VERSION` > 10. Regeneration of the `configure` scripts fixes build on macOS. 

Original configure contains:
```
    case $host_os in
    rhapsody* | darwin1.[012])
      _lt_dar_allow_undefined='$wl-undefined ${wl}suppress' ;;
    darwin1.*)
      _lt_dar_allow_undefined='$wl-flat_namespace $wl-undefined ${wl}suppress' ;;
    darwin*) # darwin 5.x on
      # if running on 10.5 or later, the deployment target defaults
      # to the OS version, if on x86, and 10.4, the deployment
      # target defaults to 10.4. Don't you love it?
      case ${MACOSX_DEPLOYMENT_TARGET-10.0},$host in
        10.0,*86*-darwin8*|10.0,*-darwin[91]*)
          _lt_dar_allow_undefined='$wl-undefined ${wl}dynamic_lookup' ;;
        10.[012][,.]*)
          _lt_dar_allow_undefined='$wl-flat_namespace $wl-undefined ${wl}suppress' ;;
        10.*)
          _lt_dar_allow_undefined='$wl-undefined ${wl}dynamic_lookup' ;;
      esac
```

After re-running `autogen.sh`:
```
    case $host_os in
    rhapsody* | darwin1.[012])
      _lt_dar_allow_undefined='$wl-undefined ${wl}suppress' ;;
    darwin1.*)
      _lt_dar_allow_undefined='$wl-flat_namespace $wl-undefined ${wl}suppress' ;;
    darwin*)
      case $MACOSX_DEPLOYMENT_TARGET,$host in
        10.[012],*|,*powerpc*-darwin[5-8]*)
          _lt_dar_allow_undefined='$wl-flat_namespace $wl-undefined ${wl}suppress' ;;
        *)
          _lt_dar_allow_undefined='$wl-undefined ${wl}dynamic_lookup' ;;
      esac
```
2023-11-08 22:33:09 +01:00
Adam J. Stewart
e114853115
py-lightning: add v2.1.1 (#40957) 2023-11-08 13:15:23 -08:00
Cameron Smith
89fc9a9d47
lcov: add version2, embed perl path in binaries (#39342)
* lcov: add version2, perl dep at build and runtime
* lcov: add runtime deps
* namespace-autoclean: new perl package
* datetime: dep on autoclean
* formatting
2023-11-08 11:23:23 -08:00
Massimiliano Culpo
afc693645a
tcl: filter compiler wrappers to avoid pointing to Spack (#40946) 2023-11-08 19:38:41 +01:00
downloadico
4ac0e511ad
abinit: add v9.10.3 (#40919)
* abinit:	add v9.10.3
Changed	configure arguments for specfying how to use Wannier90 for versions
after 9.8.
When the mpi variant is requested, set the F90 environment variable to point
to the MPI Fortran wrapper when building versions after 9.8 instead of FC.
---------

Co-authored-by: Alec Scott <hi@alecbcs.com>
2023-11-08 10:15:49 -08:00
Henri Menke
b0355d6cc0
ScaFaCoS 1.0.4 (#40948) 2023-11-08 10:17:58 -07:00
Konstantinos Parasyris
300d53d6f8
Add new tag on AMS (#40949) 2023-11-08 08:52:53 -08:00
Greg Becker
0b344e0fd3
tutorial stack: update for changes to the basics section for SC23 (#40942) 2023-11-07 23:46:57 -08:00
Peter Scheibel
15adb308bf
RAJA package: find libs (#40885) 2023-11-08 08:33:04 +01:00
Michael Kuhn
050d565375
julia: constrain patchelf version (#40938)
* julia: constrain patchelf version

patchelf@0.18 breaks (at least) `libjulea-internal.so`, leading to
errors like:
```
$ julia --version
ERROR: Unable to load dependent library $SPACK/opt/spack/linux-centos8-x86_64_v3/gcc-12.3.0/julia-1.9.2-6hf5qx2q27jth2fkm6kgqmfdlhzzw6pl/bin/../lib/julia/libjulia-internal.so.1
Message:$SPACK/opt/spack/linux-centos8-x86_64_v3/gcc-12.3.0/julia-1.9.2-6hf5qx2q27jth2fkm6kgqmfdlhzzw6pl/bin/../lib/julia/libjulia-internal.so.1: ELF load command address/offset not properly aligned
```

* patchelf: prefer v0.17.x since v0.18 breaks libraries
2023-11-08 08:13:54 +01:00
Matthew Thompson
f6ef2c254e
mapl: add v2.41 and v2.42 (#40870)
* mapl: add 2.41 and 2.42

* Conflict MPICH 3
2023-11-07 17:36:11 -08:00
Freifrau von Bleifrei
62c27b1924
discotec: add compression variant (#40925) 2023-11-07 14:58:48 -08:00
SWAT Team (JSC)
2ff0766aa4
adds cubew 4.8.1, cubelib 4.8.1 and cubegui 4.8.1, 4.8.2 (#40612)
* exago: fix v1.5.1 tag; only allow python up to 3.10 for for @:1.5 (#40676)
* exago: fix v1.5.1 tag; only allow python up to 3.10 for for @:1.5 due to pybind error with py 3.11
* hiop@:1.0 +cuda: constrain to cuda@:11.9
* fixes syntax of maintainers

---------

Co-authored-by: eugeneswalker <38933153+eugeneswalker@users.noreply.github.com>
2023-11-07 14:40:36 -08:00
Mark W. Krentel
dc245e87f9
intel-xed: fix git hash for mbuild, add version 2023.10.11 (#40922)
* intel-xed: fix git hash for mbuild, add version 2023.10.11
   Fixes #40912
* Fix the git commit hash for mbuild 2022.04.17.  This was broken in
   commit eef9939c21 by mixing up the hashes for xed versus mbuild.
* Add versions 2023.08.21 and 2023.10.11.
* fix style
2023-11-07 14:36:42 -08:00
Harmen Stoppels
c1f134e2a0
tutorial: use lmod@8.7.18 because @8.7.19: has bugs (#40939) 2023-11-07 23:04:45 +01:00
Mosè Giordano
391940d2eb
julia: Add v1.9.3 (#40911) 2023-11-07 22:06:12 +01:00