Commit graph

28664 commits

Author SHA1 Message Date
Miguel Dias Costa
f27be808a4
berkeleygw: add back python dependencies and tweak testsuite (#34125)
* slightly raise tolerance of some tests
2022-12-05 23:37:19 +01:00
Seth R. Johnson
855d3519b6
SWIG: new version 4.1.0 (#34250) 2022-12-05 23:30:14 +01:00
downloadico
37f232e319
psrcat: fixed typo/undefined variable problem (#34334)
replaced the reference to the undefined "bindir" variable with prefix.bin
2022-12-05 15:19:54 -07:00
Luke Diorio-Toth
ac1c29eac0
pharokka and py-phanotate: new packages (#34333)
* pharokka and py-phanotate: new packages

* move libxcrypt edit

I don't need libxcrypt when not building dev infernal. Moving to a different PR
2022-12-05 16:16:59 -06:00
Bernhard Kaindl
56072172f5
jellyfish: add variants for python and ruby bindings (#33832)
Co-authored-by: teachers-uk-net <stuart.morrison@kcl.ac.uk>
2022-12-05 14:10:57 -07:00
Peter Scheibel
64d957dece
cray-mpich: fix dependencies for externals from manifest (#34231)
The cray manifest shows dependency information for cray-mpich, which we never previously cared about
because it can only be used as an external. This updates Spack's dependency information to make cray-mpich
specs read in from the cray external manifest usable.
2022-12-05 12:11:56 -08:00
Loïc Pottier
3edc85ec21
redis: newer version and added TLS support (#34230)
Signed-off-by: Loïc Pottier <pottier1@llnl.gov>
Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2022-12-05 12:44:13 -07:00
Manuela Kuhn
d8006a9495
py-nodeenv: add 1.7.0 (#34314) 2022-12-05 12:32:30 -07:00
Manuela Kuhn
a2cfc07412
py-num2words: add 0.5.12 (#34315) 2022-12-05 12:25:01 -07:00
Sreenivasa Murthy Kolam
1295ea5d40
Drop support for older rocm releases - 4.5.0 till 5.0.2 (#34264)
* initial changes for rocm recipes
* drop support for older releases
* drop support for older rocm releases - add more recipes
* drop support for older releases
* address style issues
* address style error
* fix errors
* address review comments
2022-12-05 10:47:45 -08:00
Hector Martinez-Seara
4664b3cd1e
Added plumed version 2.8.1 including gromacs compatibility (#34268)
* Added plumed version 2.8.1 including gromacs compatibility
* Corrected ~mpi and +mpi variants in new depends
* Fixed regression logic plumed+gromacs@2020.6 support
2022-12-05 10:43:08 -08:00
Richard Berger
dc7e0e3ef6
LAMMPS: Add new versions (#32522)
* LAMMPS: Add version 20220803 and 20220623.1

* LAMMPS: Add 20220915, 20221103, and 20220623.2
2022-12-05 12:52:10 -05:00
H. Joe Lee
9aa615aa98
feat(Hermes)!: add yaml-cpp dependency (#34330)
The 0.9.0-beta requires yaml-cpp for parsing the configuration file format in YAML.

P.S. I'm using https://www.conventionalcommits.org/en/v1.0.0/#specification for this commit message.
2022-12-05 09:49:45 -08:00
downloadico
85b6bf99a4
Add packages related to the LWA software stack (#34112)
* epsic: add epsic package to spack

* psrcat: add psrcat to spack

* psrchive: add psarchive to spack

* tempo: add tempo package to spack
2022-12-05 09:48:04 -08:00
Todd Gamblin
78ec3d5662
clingo: add version 5.6.2 (#34317)
See release notes at https://github.com/potassco/clingo/releases/tag/v5.6.2
2022-12-05 10:39:30 -07:00
andriish
a7b5f2ef39
Add the very first version of cernlib package (#33911)
* Add the very first version of cernlib
* Update package.py
* Update package.py

Co-authored-by: Andrii Verbytskyi <andriish@pcatlas18.mpp.mpg.de>
2022-12-05 09:31:15 -08:00
Manuela Kuhn
f71701f39d
py-nbclassic: add 0.4.8 and new package py-notebook-shim (#34320)
* py-nbclassic: add 0.4.8 and new package py-notebook-shim

* Add missing dependencies
2022-12-05 09:51:28 -07:00
Todd Gamblin
54008a2342
vermin: remove all novm comments from code (#34308)
All the vermin annotations we were using were for optional features introduced in early
Python 3 versions. We no longer need any of them, as we only support Python 3.6+. If we
start optionally using features from newer Pythons than 3.6, we will need more vermin
annotations.

Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>

Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
2022-12-05 08:59:27 -07:00
Manuela Kuhn
1670c325c6
py-llvmlite: add 0.39.1 (#34318) 2022-12-05 09:22:05 -06:00
SXS Bot
534a994b4c
spectre: add v2022.12.02 (#34277)
Co-authored-by: sxs-bot <sxs-bot@users.noreply.github.com>
2022-12-05 12:45:04 +01:00
Jean-Luc Fattebert
359efca201
Thermo4PFM: new package (#34287) 2022-12-05 12:03:44 +01:00
Glenn Johnson
65809140f3
gurobi: add v10.0.0, v9.5.2 (#34291) 2022-12-05 11:58:09 +01:00
Glenn Johnson
3f1622f9e7
freeglut: add dependency on libxxf86vm (#34293) 2022-12-05 11:57:27 +01:00
Glenn Johnson
8332a59194
wannier90: gfortran-10 support and libs property (#34278) 2022-12-05 11:43:23 +01:00
HELICS-bot
05abea3a3a
helics: add v3.3.2 (#34297)
Co-authored-by: github-actions[bot] <github-actions[bot]@users.noreply.github.com>
2022-12-05 11:42:03 +01:00
Luke Diorio-Toth
e7fc9ea243
mmseqs2: new package (#34189) 2022-12-05 11:38:56 +01:00
Adam J. Stewart
eea3ea7675
py-torch: fix patching on ppc64le (#34283) 2022-12-05 11:37:31 +01:00
Auriane R
895ac2626d
Add conflicts between gcc@12.2.0 and rocblas@5.2.1:5.2.3 (#34217)
* Add conflicts with gcc@12.2.0

* Add more links for reference
2022-12-05 11:13:22 +01:00
Todd Gamblin
94dc86e163
web: remove checks for SSL verification support (#34307)
We no longer support Python <3.6, so we don't need to check whether Python supports SSL
verification in `spack.util.web`.

- [x] Remove a bunch of logic we needed to appease Python 2
2022-12-05 08:46:27 +01:00
Manuela Kuhn
729b1c9fa6
py-mne: add 1.2.2, 1.2.3 and dependency packages (#34295)
* py-mne: add 1.2.2 and depencendy packages

* py-mne: add 1.2.3

* Remove unnecessary when statement
2022-12-05 00:02:27 -06:00
Todd Gamblin
82b7fe649f
typing: move from comment annotations to Python 3.6 annotations (#34305)
We've stopped supporting Python 2, and contributors are noticing that our CI no longer
allows Python 2.7 comment type hints. They end up having to adapt them, but this adds
extra unrelated work to PRs.

- [x] Move to 3.6 type hints across the entire code base
2022-12-04 21:41:12 -08:00
Adam J. Stewart
76417d6ac6
py-torchmetrics: add v0.11.0 (#34220) 2022-12-04 15:32:02 -07:00
Glenn Johnson
fe995542ab
py-tensorflow: patch for cuBLAS error (#34279) 2022-12-03 09:17:12 -07:00
wspear
8f5209063d
Use correct method for selecting compiler names. (#34175) 2022-12-02 15:02:24 -08:00
Enrico Usai
241a8f6be6
aws-parallelcluster: Add v2.11.9 (#34270) 2022-12-02 15:57:18 -07:00
Seth R. Johnson
a8a0a6916a
doxygen: add build-tools tag (#34249)
* doxygen: add build-tool tag
   This allows it to be included automatically as an external. No one links against doxygen so this should be ok.
* doxygen: add self as maintainer
2022-12-02 15:56:57 -07:00
Ben Morgan
8d10dce651
vecgeom: add new 1.2.1 version (#34240)
* vecgeom: add new 1.2.1 version
* vecgeom: introduce conflict between gcc/cuda

Recent tests of vecgeom in Spack environments have shown that the build
with +cuda fails with GCC >= 11.3 and CUDA < 11.7 with error

...lib/gcc/x86_64-pc-linux-gnu/11.3.0/include/serializeintrin.h(41):
error: identifier "__builtin_ia32_serialize" is undefined

1 error detected in the compilation of
".../VecGeom/source/BVHManager.cu".

Other GCC/CUDA combinations appear o.k.

Avoid this error in spack, and document it for users, with a conflict
directive to express the restriction.
2022-12-02 15:56:43 -07:00
Phil Carns
a2938c9348
add mochi-margo 0.11.1 point release (#34271) 2022-12-02 15:56:29 -07:00
snehring
8017f4b55b
libvips: adding version 8.13.3 (#34228) 2022-12-02 15:32:22 -07:00
Andrew W Elble
588d2e295f
py-alphafold: update to 2.2.4, update dependencies (#33876)
* py-alphafold: update to 2.2.4, update dependencies

* style
2022-12-02 22:12:06 +00:00
Manuela Kuhn
c10b84f08d
py-nilearn: fix dependency version (#34284) 2022-12-02 15:04:46 -07:00
Greg Becker
99044bedd7
patch command: add concretizer args (#34282)
* patch command: add concretizer args
* tab completion
2022-12-02 14:02:20 -08:00
Seth R. Johnson
3afe6f1adc
ROOT: add math/gsl conflict and change version-dependent features to conditional variants (#34244)
* ROOT: add GSL/math dependency
* ROOT: use conditional variants instead of conflicts
2022-12-02 12:05:43 -07:00
Manuela Kuhn
fcd9038225
py-neurokit2: add 0.2.2 (#34267) 2022-12-02 11:41:43 -07:00
H. Joe Lee
9d82024f1a
feat(Hermes): update version to 0.9.0-beta. (#34243)
* feat(Hermes): update version to 0.9.0-beta.
   This is the latest release.
* feat(Hermes): fix checksum.
  Credit: @tldahlgren
2022-12-02 11:31:09 -07:00
Tamara Dahlgren
bcefe6a73e
Docs: Minor change 'several'->'over a dozen' (#34274) 2022-12-02 10:27:37 -08:00
Todd Gamblin
87562042df
concretizer: use only attr() for Spec attributes (#31202)
All Spec attributes are now represented as `attr(attribute_name, ... args ...)`, e.g.
`attr(node, "hdf5")` instead of `node("hdf5")`, as we *have* to maintain the `attr()`
form anyway, and it simplifies the encoding to just maintain one form of the Spec
information.

Background
----------

In #20644, we unified the way conditionals are done in the concretizer, but this
introduced a nasty aspect to the encoding: we have to maintain everything we want in
general conditions in two forms: `predicate(...)` and `attr("predicate", ...)`. For
example, here's the start of the table of spec attributes we had to maintain:

```prolog
node(Package)                      :- attr("node", Package).
virtual_node(Virtual)              :- attr("virtual_node", Virtual).
hash(Package, Hash)                :- attr("hash", Package, Hash).
version(Package, Version)          :- attr("version", Package, Version).
...
```

```prolog
attr("node", Package)              :- node(Package).
attr("virtual_node", Virtual)      :- virtual_node(Virtual).
attr("hash", Package, Hash)        :- hash(Package, Hash).
attr("version", Package, Version)  :- version(Package, Version).
...
```

This adds cognitive load to understanding how the concretizer works, as you have to
understand the equivalence between the two forms of spec attributes. It also makes the
general condition logic in #20644 hard to explain, and it's easy to forget to add a new
equivalence to this list when adding new spec attributes (at least two people have been
bitten by this).

Solution
--------

- [x] remove the equivalence list from `concretize.lp`
- [x] simplify `spec_clauses()`, `condition()`, and other functions in `asp.py` that need
      to deal with `Spec` attributes.
- [x] Convert all old-form spec attributes in `concretize.lp` to the `attr()` form
- [x] Simplify `display.lp`, where we also had to maintain a list of spec attributes. Now
      we only need to show `attr/2`, `attr/3`, and `attr/4`.
- [x] Simplify model extraction logic in `asp.py`.

Performance
-----------

This seems to result in a smaller grounded problem (as there are no longer duplicated
`attr("foo", ...)` / `foo(...)` predicates in the program), but it also adds a slight
performance overhead vs. develop. Ultimately, simplifying the encoding will be a win,
particularly for improving error messages.

Notes
-----

This will simplify future node refactors in `concretize.lp` (e.g., not identifying nodes
by package name, which we need for separate build dependencies).

I'm still not entirely used to reading `attr()` notation, but I thnk it's ultimately
clearer than what we did before. We need more uniform naming, and it's now clear what is
part of a solution. We should probably continue making the encoding of `concretize.lp`
simpler and more self-explanatory. It may make sense to rename `attr` to something like
`node_attr` and to simplify the names of node attributes. It also might make sense to do
something similar for other types of predicates in `concretize.lp`.
2022-12-02 18:56:18 +01:00
Manuela Kuhn
10d10b612a
py-keyrings-alt: add 4.2.0 (#34262)
* py-keyrings-alt: add 4.2.0

* Add missing py-jaraco-classes dependency
2022-12-02 09:08:53 -07:00
iarspider
69dd742dc9
Add checksum for py-hatchling 1.8.1 (#34260) 2022-12-02 09:29:38 -06:00
Tamara Dahlgren
18efd817b1
Bugfix: Fetch should not force use of curl to check url existence (#34225)
* Bugfix: Fetch should not force use of curl to check url existence

* Switch type hints from comments to actual hints
2022-12-02 04:50:23 -07:00