Commit graph

916 commits

Author SHA1 Message Date
eugeneswalker
a7c6df1b5a e4s ci: disable gpu test stack (#41296) 2024-01-12 10:16:58 +01:00
Greg Becker
09e9bb5c3d 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`.
2023-11-11 03:32:22 -08:00
Todd Gamblin
fe57ec2ab7 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.
2023-11-11 03:32:22 -08:00
Massimiliano Culpo
fc5fd7fc60 tcl: filter compiler wrappers to avoid pointing to Spack (#40946) 2023-11-09 11:44:57 +01:00
Greg Becker
f7cacdbf40 tutorial stack: update for changes to the basics section for SC23 (#40942) 2023-11-08 08:56:33 +01:00
Harmen Stoppels
5152738084 tutorial: use lmod@8.7.18 because @8.7.19: has bugs (#40939) 2023-11-08 08:56:33 +01:00
Harmen Stoppels
53a31bbbbf tutorial pipeline: force gcc@12.3.0 (#40937) 2023-11-08 08:56:33 +01:00
Harmen Stoppels
4ce80b95f3
spack compiler find --[no]-mixed-toolchain (#40902)
Currently there's some hacky logic in the AppleClang compiler that makes
it also accept `gfortran` as a fortran compiler if `flang` is not found.

This is guarded by `if sys.platform` checks s.t. it only applies to
Darwin.

But on Linux the feature of detecting mixed toolchains is highly
requested too, cause it's rather annoying to run into a failed build of
`openblas` after dozens of minutes of compiling its dependencies, just
because clang doesn't have a fortran compiler.

In particular in CI where the system compilers may change during system
updates, it's typically impossible to fix compilers in a hand-written
compilers.yaml config file: the config will almost certainly be outdated
sooner or later, and maintaining one config file per target machine and
writing logic to select the correct config is rather undesirable too.

---

This PR introduces a flag `spack compiler find --mixed-toolchain` that
fills out missing `fc` and `f77` entries in `clang` / `apple-clang` by
picking the best matching `gcc`.

It is enabled by default on macOS, but not on Linux, matching current
behavior of `spack compiler find`.

The "best matching gcc" logic and compiler path updates are identical to
how compiler path dictionaries are currently flattened "horizontally"
(per compiler id). This just adds logic to do the same "vertically"
(across different compiler ids).

So, with this change on Ubuntu 22.04:

```
$ spack compiler find --mixed-toolchain
==> Added 6 new compilers to /home/harmen/.spack/linux/compilers.yaml
    gcc@13.1.0  gcc@12.3.0  gcc@11.4.0  gcc@10.5.0  clang@16.0.0  clang@15.0.7
==> Compilers are defined in the following files:
    /home/harmen/.spack/linux/compilers.yaml

```

you finally get:

```
compilers:
- compiler:
    spec: clang@=15.0.7
    paths:
      cc: /usr/bin/clang
      cxx: /usr/bin/clang++
      f77: /usr/bin/gfortran
      fc: /usr/bin/gfortran
    flags: {}
    operating_system: ubuntu23.04
    target: x86_64
    modules: []
    environment: {}
    extra_rpaths: []
- compiler:
    spec: clang@=16.0.0
    paths:
      cc: /usr/bin/clang-16
      cxx: /usr/bin/clang++-16
      f77: /usr/bin/gfortran
      fc: /usr/bin/gfortran
    flags: {}
    operating_system: ubuntu23.04
    target: x86_64
    modules: []
    environment: {}
    extra_rpaths: []
```

The "best gcc" is automatically default system gcc, since it has no
suffixes / prefixes.
2023-11-06 15:17:31 -08:00
Harmen Stoppels
3c641c8509
spack env activate: create & activate default environment without args (#40756)
This PR implements the concept of "default environment", which doesn't have to be
created explicitly. The aim is to lower the barrier for adopting environments.

To (create and) activate the default environment, run

```
$ spack env activate
```

This mimics the behavior of

```
$ cd
```

which brings you to your home directory.

This is not a breaking change, since `spack env activate` without arguments
currently errors. It is similar to the already existing `spack env activate --temp`
command which always creates an env in a temporary directory, the difference
is that the default environment is a managed / named environment named `default`.

The name `default` is not a reserved name, it's just that `spack env activate`
creates it for you if you don't have it already.

With this change, you can get started with environments faster:

```
$ spack env activate [--prompt]
$ spack install --add x y z
```

instead of

```
$ spack env create default
==> Created environment 'default in /Users/harmenstoppels/spack/var/spack/environments/default
==> You can activate this environment with:
==>   spack env activate default
$ spack env activate [--prompt] default 
$ spack install --add x y z
```

Notice that Spack supports switching (but not stacking) environments, so the
parallel with `cd` is pretty clear:

```
$ spack env activate named_env
$ spack env status
==> In environment named_env
$ spack env activate
$ spack env status
==> In environment default
```
2023-11-05 22:53:26 -08:00
Todd Gamblin
f6b23b4653
bugfix: compress aliases for first command in completion (#40890)
This completes to `spack concretize`:

```
spack conc<tab>
```

but this still gets hung up on the difference between `concretize` and `concretise`:

```
spack -e . conc<tab>
```

We were checking `"$COMP_CWORD" = 1`, which tracks the word on the command line
including any flags and their args, but we should track `"$COMP_CWORD_NO_FLAGS" = 1` to
figure out if the arg we're completing is the first real command.
2023-11-05 10:15:37 +00:00
Tamara Dahlgren
c9dfb9b0fd
Environments: Add support for including definitions files (#33960)
This PR adds support for including separate definitions from `spack.yaml`.

Supporting the inclusion of files with definitions enables user to make
curated/standardized collections of packages that can re-used by others.
2023-11-05 00:47:06 -07:00
Massimiliano Culpo
f51dad976e
hdf5-vol-async: better specify dependency condition (#40882) 2023-11-04 20:31:52 +01:00
eugeneswalker
fd22d109a6
sundials +sycl: add cxxflags=-fsycl via flag_handler (#40845) 2023-11-04 08:55:19 -05:00
eugeneswalker
d4a1618e07
tau: update 2.33 hash, add syscall variant (#40851)
Co-authored-by: wspear <wjspear@gmail.com>
2023-11-03 07:58:00 +01:00
Harmen Stoppels
8b0ab67de4
depfile: deal with empty / non-concrete env (#40816) 2023-11-02 16:04:35 +01:00
Harmen Stoppels
343ed8a3fa
force color in subshell if not SPACK_COLOR (#40782) 2023-10-31 22:27:00 +01:00
Harmen Stoppels
6933e1c3cb
ci: bump tutorial image and toolchain (#40795) 2023-10-31 12:58:33 +01:00
Harmen Stoppels
160bfd881d
tutorial: replace zlib -> gmake to avoid deprecated versions (#40769) 2023-10-31 10:04:53 +01:00
Harmen Stoppels
b1b8500eba
ci: print colored specs in concretization progress (#40711) 2023-10-30 15:29:27 +01:00
eugeneswalker
ed7274a4d0
e4s ci stacks: add exago specs (#40712)
* e4s ci: add exago +cuda, +rocm builds

* exago: rename 5-18-2022-snapshot to snapshot.5-18-2022

* disable exago +rocm for non-external rocm ci install

* note that hiop +rocm fails to find hip libraries when they are spack-installed
2023-10-27 11:15:11 -07:00
Harmen Stoppels
195f965076
OCI buildcache (#38358)
Credits to @ChristianKniep for advocating the idea of OCI image layers
being identical to spack buildcache tarballs.

With this you can configure an OCI registry as a buildcache:

```console 
$ spack mirror add my_registry oci://user/image # Dockerhub

$ spack mirror add my_registry oci://ghcr.io/haampie/spack-test # GHCR

$ spack mirror set --push --oci-username ... --oci-password ... my_registry  # set login credentials
```

which should result in this config:

```yaml
mirrors:
  my_registry:
    url: oci://ghcr.io/haampie/spack-test
    push:
      access_pair: [<username>, <password>]
```

It can be used like any other registry

```
spack buildcache push my_registry [specs...]
```

It will upload the Spack tarballs in parallel, as well as manifest + config
files s.t. the binaries are compatible with `docker pull` or `skopeo copy`.

In fact, a base image can be added to get a _runnable_ image:

```console
$ spack buildcache push --base-image ubuntu:23.04 my_registry python
Pushed ... as [image]:python-3.11.2-65txfcpqbmpawclvtasuog4yzmxwaoia.spack

$ docker run --rm -it [image]:python-3.11.2-65txfcpqbmpawclvtasuog4yzmxwaoia.spack
```

which should really be a game changer for sharing binaries.

Further, all content-addressable blobs that are downloaded and verified
will be cached in Spack's download cache. This should make repeated
`push` commands faster, as well as `push` followed by a separate
`update-index` command.

An end to end example of how to use this in Github Actions is here:

**https://github.com/haampie/spack-oci-buildcache-example**


TODO:

- [x] Generate environment modifications in config so PATH is set up
- [x] Enrich config with Spack's `spec` json (this is allowed in the OCI specification)
- [x] When ^ is done, add logic to create an index in say `<image>:index` by fetching all config files (using OCI distribution discovery API)
- [x] Add logic to use object storage in an OCI registry in `spack install`.
- [x] Make the user pick the base image for generated OCI images.
- [x] Update buildcache install logic to deal with absolute paths in tarballs
- [x] Merge with `spack buildcache` command
- [x] Merge #37441 (included here)
- [x] Merge #39077 (included here)
- [x] #39187 + #39285
- [x] #39341
- [x] Not a blocker: #35737 fixes correctness run env for the generated container images

NOTE:

1. `oci://` is unfortunately taken, so it's being abused in this PR to mean "oci type mirror". `skopeo` uses `docker://` which I'd like to avoid, given that classical docker v1 registries are not supported.
2. this is currently `https`-only, given that basic auth is used to login. I _could_ be convinced to allow http, but I'd prefer not to, given that for a `spack buildcache push` command multiple domains can be involved (auth server, source of base image, destination registry). Right now, no urllib http handler is added, so redirects to https and auth servers with http urls will simply result in a hard failure.

CAVEATS:

1. Signing is not implemented in this PR. `gpg --clearsign` is not the nicest solution, since (a) the spec.json is merged into the image config, which must be valid json, and (b) it would be better to sign the manifest (referencing both config/spec file and tarball) using more conventional image signing tools
2. `spack.binary_distribution.push` is not yet implemented for the OCI buildcache, only `spack buildcache push` is. This is because I'd like to always push images + deps to the registry, so that it's `docker pull`-able, whereas in `spack ci` we really wanna push an individual package without its deps to say `pr-xyz`, while its deps reside in some `develop` buildcache.
3. The `push -j ...` flag only works for OCI buildcache, not for others
2023-10-27 15:30:04 +02:00
Harmen Stoppels
51275df0b1
ci: spack compiler find should list extra config scopes (#40727)
otherwise it detected pre-configured compilers in an potentially different way.
2023-10-27 09:43:01 +02:00
Xavier Delaruelle
751b64cbcd
modules: no --delim option if separator is colon character (#39010)
Update Tcl modulefile template to simplify generated `append-path`,
`prepend-path` and `remove-path` commands and improve their readability.

If path element delimiter is colon character, do not set the `--delim`
option as it is the default delimiter value.
2023-10-26 15:55:49 +02:00
Harmen Stoppels
1c8073c21f
spack checksum: show long flags in usage output (#40407) 2023-10-26 14:48:35 +02:00
Harmen Stoppels
c0a4be156c
ci: don't put compilers in config (#40700)
* ci: don't register detectable compilers

Cause they go out of sync...

* remove intel compiler, it can be detected too

* Do not run spack compiler find since compilers are registered in concretize job already

* trilinos: work around +stokhos +cuda +superlu-dist bug due to EMPTY macro
2023-10-25 11:55:04 -07:00
Harmen Stoppels
0c30418732
ci: darwin aarch64 use apple-clang-15 tag (#40706) 2023-10-25 17:35:47 +02:00
Vicente Bolea
d0982115b3
Adios2: add kokkos variant (#40623)
* adios2: update variants and dependencies

* adios2: add kokkos rocm|cuda|sycl variant

* e4s oneapi ci stack: add adios2 +sycl

* e4s ci stack: add adios2 +rocm

* [@spackbot] updating style on behalf of vicentebolea

* Apply suggestions from code review

* adios2: fixed cuda variant

* update ecp-data-vis-sdk

* Update share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml

---------

Co-authored-by: eugeneswalker <eugenesunsetwalker@gmail.com>
Co-authored-by: vicentebolea <vicentebolea@users.noreply.github.com>
2023-10-23 13:01:57 -07:00
Harmen Stoppels
27a0425e5d
concretize separately: show concretization time per spec as they concretize when verbose (#40634) 2023-10-20 17:09:19 +02:00
Harmen Stoppels
4bade7ef96
gromacs +cp2k: build in CI (#40494)
* gromacs +cp2k: build in CI

* libxsmm: x86 only

* attempt to fix dbcsr + new mpich

* use c11 standard

* gromacs: does not depend on dbcsr

* cp2k: build with cmake in CI, s.t. dbcsr is a separate package

* cp2k: cmake patches for config files and C/C++ std

* cp2k: remove unnecessary constraints due to patch
2023-10-20 16:20:20 +02:00
Harmen Stoppels
72b36ac144
Improve setup build / run / test environment (#35737)
This adds a `SetupContext` class which is responsible for setting
package.py module globals, and computing the changes to environment
variables for the build, test or run context.

The class uses `effective_deptypes` which takes a list of specs (e.g. single
item of a spec to build, or a list of environment roots) and a context
(build, run, test), and outputs a flat list of specs that affect the
environment together with a flag in what way they do so. This list is
topologically ordered from root to leaf, so that one can be assured that
dependents override variables set by dependencies, not the other way
around.

This is used to replace the logic in `modifications_from_dependencies`,
which has several issues: missing calls to `setup_run_environment`, and
the order in which operations are applied.

Further, it should improve performance a bit in certain cases, since
`effective_deptypes` run in O(v + e) time, whereas `spack env activate`
currently can take up to O(v^2 + e) time due to loops over roots. Each
edge in the DAG is visited once by calling `effective_deptypes` with
`env.concrete_roots()`.

By marking and propagating flags through the DAG, this commit also fixes
a bug where Spack wouldn't call `setup_run_environment` for runtime
dependencies of link dependencies. And this PR ensures that Spack
correctly sets up the runtime environment of direct build dependencies.

Regarding test dependencies: in a build context they are are build-time
test deps, whereas in a test context they are install-time test deps.
Since there are no means to distinguish the build/install type test deps,
they're both.

Further changes:

- all `package.py` module globals are guaranteed to be set before any of the
  `setup_(dependent)_(run|build)_env` functions is called
- traversal order during setup: first the group of externals, then the group
  of non-externals, with specs in each group traversed topological (dependencies
  are setup before dependents)
- modules: only ever call `setup_dependent_run_environment` of *direct* link/run
   type deps
- the marker in `set_module_variables_for_package` is dropped, since we should
  call the method once per spec. This allows us to set only a cheap subset of
  globals on the module: for example it's not necessary to compute the expensive
  `cmake_args` and w/e if the spec under consideration is not the root node to be
  built.
- `spack load`'s `--only` is deprecated (it has no effect now), and `spack load x`
  now means: do everything that's required for `x` to work at runtime, which
  requires runtime deps to be setup -- just like `spack env activate`.
- `spack load` no longer loads build deps (of build deps) ...
- `spack env activate` on partially installed or broken environments: this is all
  or nothing now. If some spec errors during setup of its runtime env, you'll only
  get the unconditional variables + a warning that says the runtime changes for
  specs couldn't be applied.
- Remove traversal in upward direction from `setup_dependent_*` in packages.
  Upward traversal may iterate to specs that aren't children of the roots
  (e.g. zlib / python have hundreds of dependents, only a small fraction is
  reachable from the roots. Packages should only modify the direct dependent
  they receive as an argument)
2023-10-19 20:44:05 +02:00
Scott Wittenburg
46c1a8e4c6
gitlab ci: Rework how mirrors are configured (#39939)
Improve how mirrors are used in gitlab ci, where we have until now thought
of them as only a string.

By configuring ci mirrors ahead of time using the proposed mirror templates,
and by taking advantage of the expressiveness that spack now has for mirrors,
this PR will allow us to easily switch the protocol/url we use for fetching
binary dependencies.

This change also deprecates some gitlab functionality and marks it for
removal in Spack 0.23:

    - arguments to "spack ci generate":
        * --buildcache-destination
        * --copy-to
    - gitlab configuration options:
        * enable-artifacts-buildcache
        * temporary-storage-url-prefix
2023-10-19 11:04:59 -05:00
Harmen Stoppels
681639985a
ci: remove incorrect compilers.yaml (#40610) 2023-10-19 16:11:42 +02:00
Harmen Stoppels
294e659ae8
AutotoolsPackage / MakefilePackage: add gmake build dependency (#40380) 2023-10-18 19:56:54 +02:00
Harmen Stoppels
bd165ebc4d
Support spack env activate --with-view <name> <env> (#40549)
Currently `spack env activate --with-view` exists, but is a no-op.

So, it is not too much of a breaking change to make this redundant flag
accept a value `spack env activate --with-view <name>` which activates
a particular view by name.

The view name is stored in `SPACK_ENV_VIEW`.

This also fixes an issue where deactivating a view that was activated
with `--without-view` possibly removes entries from PATH, since now we
keep track of whether the default view was "enabled" or not.
2023-10-17 15:40:48 +02:00
Massimiliano Culpo
3935e047c6
Remove deprecated "extra_instructions" option for containers (#40365) 2023-10-12 12:12:15 +02:00
Massimiliano Culpo
861bb4d35a
Update bootstrap buildcache to support Python 3.12 (#40404)
* Add support for Python 3.12
* Use optimized build of clingo
2023-10-11 19:03:17 +02:00
eugeneswalker
37df8bfc73
e4s arm stack: duplicate and target neoverse v1 (#40369)
* e4s arm stack: duplicate and target both neoverse n1, v1

* remove neoverse_n1 target until issue #40397 is resolved
2023-10-10 14:32:51 -07:00
Alex Richert
7a358c9005
Change 'exit' to 'return' in setup-env.sh (#36137)
* Change 'exit' to 'return' in `setup-env.sh` to avoid losing shell in some cases when sourcing twice.
2023-10-06 16:19:19 -07:00
Massimiliano Culpo
e20c05fcdf
Make "minimal" the default duplicate strategy (#39621)
* Allow branching out of the "generic build" unification set

For cases like the one in https://github.com/spack/spack/pull/39661
we need to relax rules on unification sets.

The issue is that, right now, nodes in the "generic build" unification
set are unified together with their build dependencies. This was done
out of caution to avoid the risk of circular dependencies, which would
ultimately cause a very slow solve.

For build-tools like Cython, however, the build dependencies is masked
by a long chain of "build, run" dependencies that belong in the
"generic build" unification space.

To allow splitting on cases like this, we relax the rule disallowing
branching out of the "generic build" unification set.

* Fix issue with pure build virtual dependencies

Pure build virtual dependencies were not accounted properly in the
list of possible virtuals. This caused some facts connecting virtuals
to the corresponding providers to not be emitted, and in the end
lead to unsat problems.

* Fixed a few issues in packages

py-gevent: restore dependency on py-cython@3
jsoncpp: fix typo in build dependency
ecp-data-vis-sdk: update spack.yaml and cmake recipe
py-statsmodels: add v0.13.5

* Make dependency on "blt" of type "build"
2023-10-06 10:24:21 +02:00
eugeneswalker
e0e6ff5a68
Revert "cray rhel: disable due to runner issues (#40324)" (#40335)
This reverts commit bf7f54449b.
2023-10-05 10:32:52 -07:00
Harmen Stoppels
bf7f54449b
cray rhel: disable due to runner issues (#40324) 2023-10-05 08:45:33 +02:00
Scott Wittenburg
7bf6780de2
ci: pull E4S images from github instead of dockerhub (#40307) 2023-10-04 09:55:06 +02:00
eugeneswalker
91178d40f3
e4s arm: disable bricks due to target=aarch64 not being respected (#40308) 2023-10-04 09:51:14 +02:00
eugeneswalker
8746c75db0
e4s ci stacks: sync with e4s-23.08 (#40263)
* e4s amd64 gcc ci stack: sync with e4s-23.08

* e4s amd64 oneapi ci stack: sync with e4s-23.08

* e4s ppc64 gcc ci stack: sync with e4s-23.08

* add new ci stack: e4s amd64 gcc w/ external rocm

* add new ci stack: e4s arm gcc ci

* updates

* py-scipy: -fvisibility issue is resolved in 2023.1.0: #39464

* paraview oneapi fails

* comment out pkgs that fail to build on power

* fix arm stack name

* fix cabana +cuda specification

* comment out failing spces

* visit fails build on arm

* comment out slepc arm builds due to make issue

* comment out failing dealii arm builds
2023-10-03 08:12:51 -07:00
Massimiliano Culpo
4b06862a7f
Deactivate Cray sles, due to unavailable runner (#40291)
This reverts commit 0274091204.
2023-10-03 11:06:36 +02:00
G-Ragghianti
1b75651af6
Implemented +sycl for slate (#39927)
* Implemented +sycl for slate

* style

* style

* add slate +sycl to ci

* slate +sycl: explicitly specify +mpi

* comment out slate+sycl+mpi in e4s oneapi stack

* removing requirement of intel-oneapi-mpi

* Added slate+sycl to e4s oneapi stack

* Removing obsolete comment

---------

Co-authored-by: eugeneswalker <eugenesunsetwalker@gmail.com>
2023-10-02 07:35:00 -07:00
eugeneswalker
2d509dc3eb
py-scipy: -fvisibility issue is resolved in 2023.1.0: (#39464)
* py-scipy: -fvisibility issue is resolved in 2023.1.0:

* e4s oneapi ci: add py-scipy
2023-10-01 17:29:21 +00:00
eugeneswalker
68dbd25f5f
e4s cray sles ci: expand spec list (#40162)
* e4s cray sles stack: expand spec list

* remove unnecessary packages:trilinos:one_of
2023-09-30 21:32:33 -07:00
eugeneswalker
08a9345fcc
e4s ci: add packages: drishti, dxt-explorer (#39597)
* e4s ci: add packages: drishti, dxt-explorer

* e4s oneapi ci: comment out dxt-explorer until r%oneapi issue #40257 is resolved
2023-09-30 06:15:58 +09:00
Massimiliano Culpo
210d221357
Test package detection in a systematic way (#18175)
This PR adds a new audit sub-command to check that detection of relevant packages
is performed correctly in a few scenarios mocking real use-cases. The data for each 
package being tested is in a YAML file called detection_test.yaml alongside the 
corresponding package.py file.

This is to allow encoding detection tests for compilers and other widely used tools, 
in preparation for compilers as dependencies.
2023-09-29 10:24:42 +02:00