Commit graph

33610 commits

Author SHA1 Message Date
Todd Gamblin
f6b17f6329 update release branch for tutorial command 2023-11-11 03:32:22 -08:00
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
Massimiliano Culpo
f6dc557764 builtin.repo: fix ^mkl pattern in minor packages (#41003)
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
2023-11-11 03:32:22 -08:00
Massimiliano Culpo
74172fb9d2 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.
2023-11-11 03:32:22 -08:00
Harmen Stoppels
c266e69cde 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.
2023-11-11 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
Adam J. Stewart
3c3476a176 py-black: add v23.10: (#40959) 2023-11-11 03:32:22 -08:00
Scott Wittenburg
67f20c3e5c 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>
2023-11-11 03:32:22 -08:00
Satish Balay
1baf712b87 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 11:44:57 +01:00
Massimiliano Culpo
c73ec0b36d 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 11:44:57 +01:00
Harmen Stoppels
9d58d5e645 modules: restore exclude_implicits (#40958) 2023-11-09 11:44:57 +01:00
Massimiliano Culpo
fc5fd7fc60 tcl: filter compiler wrappers to avoid pointing to Spack (#40946) 2023-11-09 11:44:57 +01:00
Tom Vander Aa
efa59510a8 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
```
2023-11-09 11:44:57 +01:00
Harmen Stoppels
6094ee5eae Revert "defaults/modules.yaml: hide implicits (#40906)" (#40955)
This reverts commit a2f00886e9.
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
Richarda Butler
9ba8d60789 Propagate variant across nodes that don't have that variant (#38512)
Before this PR, variant were not propagated to leaf nodes that could accept 
the propagated value, if some intermediate node couldn't accept it.

This PR fixes that issue by marking nodes as "candidate" for propagation
and by setting the variant only if it can be accepted by the node.

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-11-08 08:56:33 +01:00
Harmen Stoppels
3c8cd8d30c Ensure global command line arguments end up in args like before (#40929) 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
bac314a4f1 spack tutorial: use backports/v0.21.0 branch 2023-11-08 08:56:33 +01:00
Harmen Stoppels
10ba172611 catch exceptions in which_string (#40935) 2023-11-08 08:56:33 +01:00
Massimiliano Culpo
c232bf435a
Change container labeling so that "latest" is the latest tag (#40593)
* Use `major.minor.patch`, `major.minor`, `major` in tags

* Ensure `latest` is the semver largest version, and not "latest in time"

* Remove Ubuntu 18.04 from the list of images
2023-11-07 11:53:36 +01:00
Massimiliano Culpo
f3537bc66b
ASP: targets, compilers and providers soft-preferences are only global (#31261)
Modify the packages.yaml schema so that soft-preferences on targets,
compilers and providers can only be specified under the "all" attribute.
This makes them effectively global preferences.

Version preferences instead can only be specified under a package
specific section.

If a preference attribute is found in a section where it should
not be, it will be ignored and a warning is printed to screen.
2023-11-07 07:46:06 +01:00
Massimiliano Culpo
4004f27bc0
archspec: update to v0.2.2 (#40917)
Adds support for Neoverse V2
2023-11-07 07:44:52 +01:00
Todd Gamblin
910190f55b
database: optimize query() by skipping unnecessary virtual checks (#40898)
Most queries will end up calling `spec.satisfies(query)` on everything in the DB, which
will cause Spack to ask whether the query spec is virtual if its name doesn't match the
target spec's. This can be expensive, because it can cause Spack to check if any new
virtuals showed up in *all* the packages it knows about. That can currently trigger
thousands of `stat()` calls.

We can avoid the virtual check for most successful queries if we consider that if there
*is* a match by name, the query spec *can't* be virtual. This PR adds an optimization to
the query loop to save any comparisons that would trigger a virtual check for last.

- [x] Add a `deferred` list to the `query()` loop.
- [x] First run through the `query()` loop *only* checks for name matches.
- [x] Query loop now returns early if there's a name match, skipping most `satisfies()` calls.
- [x] Second run through the `deferred()` list only runs if query spec is virtual.
- [x] Fix up handling of concrete specs.
- [x] Add test for querying virtuals in DB.
- [x] Avoid allocating deferred if not necessary.

---------

Co-authored-by: Harmen Stoppels <me@harmenstoppels.nl>
2023-11-07 01:00:37 +00:00
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
Sinan
8f1f9048ec
package/qgis: add latest ltr (#40752)
* package/qgis: add latest ltr

* fix bug

* [@spackbot] updating style on behalf of Sinan81

* make flake happy

---------

Co-authored-by: sbulut <sbulut@3vgeomatics.com>
Co-authored-by: Sinan81 <Sinan81@users.noreply.github.com>
2023-11-06 15:55:20 -07:00
Harmen Stoppels
e7372a54a1
docs: expand section about relocation, suggest padding (#40909) 2023-11-06 14:49:54 -08:00
Michael Kuhn
5074b7e922
Add support for aliases (#17229)
Add a new config section: `config:aliases`, which is a dictionary mapping aliases
to commands.

For instance:


```yaml
config:
    aliases:
        sp: spec -I
```

will define a new command `sp` that will execute `spec` with the `-I`
argument. 

Aliases cannot override existing commands, and this is ensured with a test.

We cannot currently alias subcommands. Spack will warn about any aliases
containing a space, but will not error, which leaves room for subcommand
aliases in the future.

---------

Co-authored-by: Todd Gamblin <tgamblin@llnl.gov>
2023-11-06 14:37:46 -08:00
Harmen Stoppels
461eb944bd
Don't let runtime env variables of compiler like deps leak into the build environment (#40916)
* Test that setup_run_environment changes to CC/CXX/FC/F77 are dropped in build env

* compilers set in run env shouldn't impact build

Adds `drop` to EnvironmentModifications courtesy of @haampie, and uses
it to clear modifications of CC, CXX, F77 and FC made by
`setup_{,dependent_}run_environment` routines when producing an
environment in BUILD context.

* comment / style

* comment

---------

Co-authored-by: Tom Scogland <scogland1@llnl.gov>
2023-11-06 14:30:27 -08:00
Harmen Stoppels
4700108b5b
fix prefix_inspections keys in example (#40904) 2023-11-06 13:22:13 -08:00
Harmen Stoppels
3384181868
docs: mention public build cache for GHA (#40908) 2023-11-06 13:21:16 -08:00
Vicente Bolea
f0f6e54b29
adios2: add v2.9.2 release (#40832) 2023-11-06 12:15:29 -08:00
Harmen Stoppels
a2f00886e9
defaults/modules.yaml: hide implicits (#40906) 2023-11-06 10:37:29 -08:00
Harmen Stoppels
1235084c20
Introduce default_args context manager (#39964)
This adds a rather trivial context manager that lets you deduplicate repeated
arguments in directives, e.g.

```python
depends_on("py-x@1", when="@1", type=("build", "run"))
depends_on("py-x@2", when="@2", type=("build", "run"))
depends_on("py-x@3", when="@3", type=("build", "run"))
depends_on("py-x@4", when="@4", type=("build", "run"))
```

can be condensed to

```python
with default_args(type=("build", "run")):
    depends_on("py-x@1", when="@1")
    depends_on("py-x@2", when="@2")
    depends_on("py-x@3", when="@3")
    depends_on("py-x@4", when="@4")
```

The advantage is it's clear for humans, the downside it's less clear for type checkers due to type erasure.
2023-11-06 10:22:29 -08:00
Greg Becker
b5538960c3
error messages: condition chaining (#40173)
Create chains of causation for error messages.

The current implementation is only completed for some of the many errors presented by the concretizer. The rest will need to be filled out over time, but this demonstrates the capability.

The basic idea is to associate conditions in the solver with one another in causal relationships, and to associate errors with the proximate causes of their facts in the condition graph. Then we can construct causal trees to explain errors, which will hopefully present users with useful information to avoid the error or report issues.

Technically, this is implemented as a secondary solve. The concretizer computes the optimal model, and if the optimal model contains an error, then a secondary solve computes causation information about the error(s) in the concretizer output.

Examples:

$ spack solve hdf5 ^cmake@3.0.1
==> Error: concretization failed for the following reasons:

   1. Cannot satisfy 'cmake@3.0.1'
   2. Cannot satisfy 'cmake@3.0.1'
        required because hdf5 ^cmake@3.0.1 requested from CLI 
   3. Cannot satisfy 'cmake@3.18:' and 'cmake@3.0.1
        required because hdf5 ^cmake@3.0.1 requested from CLI 
        required because hdf5 depends on cmake@3.18: when @1.13: 
          required because hdf5 ^cmake@3.0.1 requested from CLI 
   4. Cannot satisfy 'cmake@3.12:' and 'cmake@3.0.1
        required because hdf5 depends on cmake@3.12: 
          required because hdf5 ^cmake@3.0.1 requested from CLI 
        required because hdf5 ^cmake@3.0.1 requested from CLI

$ spack spec cmake ^curl~ldap   # <-- with curl configured non-buildable and an external with `+ldap`
==> Error: concretization failed for the following reasons:

   1. Attempted to use external for 'curl' which does not satisfy any configured external spec
   2. Attempted to build package curl which is not buildable and does not have a satisfying external
        attr('variant_value', 'curl', 'ldap', 'True') is an external constraint for curl which was not satisfied
   3. Attempted to build package curl which is not buildable and does not have a satisfying external
        attr('variant_value', 'curl', 'gssapi', 'True') is an external constraint for curl which was not satisfied
   4. Attempted to build package curl which is not buildable and does not have a satisfying external
        'curl+ldap' is an external constraint for curl which was not satisfied
        'curl~ldap' required
        required because cmake ^curl~ldap requested from CLI 

$ spack solve yambo+mpi ^hdf5~mpi
==> Error: concretization failed for the following reasons:

   1. 'hdf5' required multiple values for single-valued variant 'mpi'
   2. 'hdf5' required multiple values for single-valued variant 'mpi'
    Requested '~mpi' and '+mpi'
        required because yambo depends on hdf5+mpi when +mpi 
          required because yambo+mpi ^hdf5~mpi requested from CLI 
        required because yambo+mpi ^hdf5~mpi requested from CLI 
   3. 'hdf5' required multiple values for single-valued variant 'mpi'
    Requested '~mpi' and '+mpi'
        required because netcdf-c depends on hdf5+mpi when +mpi 
          required because netcdf-fortran depends on netcdf-c 
            required because yambo depends on netcdf-fortran 
              required because yambo+mpi ^hdf5~mpi requested from CLI 
          required because netcdf-fortran depends on netcdf-c@4.7.4: when @4.5.3: 
            required because yambo depends on netcdf-fortran 
              required because yambo+mpi ^hdf5~mpi requested from CLI 
          required because yambo depends on netcdf-c 
            required because yambo+mpi ^hdf5~mpi requested from CLI 
          required because yambo depends on netcdf-c+mpi when +mpi 
            required because yambo+mpi ^hdf5~mpi requested from CLI 
        required because yambo+mpi ^hdf5~mpi requested from CLI 

Future work:

In addition to fleshing out the causes of other errors, I would like to find a way to associate different components of the error messages with different causes. In this example it's pretty easy to infer which part is which, but I'm not confident that will always be the case. 

See the previous PR #34500 for discussion of how the condition chains are incomplete. In the future, we may need custom logic for individual attributes to associate some important choice rules with conditions such that clingo choices or other derivations can be part of the explanation.

---------

Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
2023-11-06 09:55:21 -08:00
Michael Kuhn
d3d82e8d6b
c-blosc2: add v2.11.1 (#40889) 2023-11-06 09:48:42 -08:00
Tamara Dahlgren
17a9198c78
Environments: remove environments created with SpackYAMLErrors (#40878) 2023-11-06 18:48:28 +01:00
Juan Miguel Carceller
c6c689be28
pythia8: fix configure args (#40644)
Co-authored-by: jmcarcell <jmcarcell@users.noreply.github.com>
2023-11-06 09:33:23 -08:00
AMD Toolchain Support
ab563c09d2
enable threading in amdlibflame (#40852)
Co-authored-by: vkallesh <Vijay-teekinavar.Kallesh@amd.com>
2023-11-06 09:20:19 -08:00
Sergio Sánchez Ramírez
abdac36fd5
Add Python as build dependency of Julia (#40903) 2023-11-06 09:03:38 -07:00
Harmen Stoppels
b8a18f0a78
mpich: remove unnecessary tuples and upperbounds (#40899)
* mpich: remove unnecessary tuples

* remove redundant :3.3.99 upperbound
2023-11-06 07:58:50 -07:00
Wouter Deconinck
17656b2ea0
qt: new version 5.15.11 (#40884)
* qt: new version 5.15.11

* qt: open end patch for qtlocation when gcc-10:
2023-11-06 06:08:19 -07:00
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
Michael Kuhn
141c7de5d8
Add command and package suggestions (#40895)
* Add command suggestions

This adds suggestions of similar commands in case users mistype a
command. Before:
```
$ spack spack
==> Error: spack is not a recognized Spack command or extension command; check with `spack commands`.
```
After:
```
$ spack spack
==> Error: spack is not a recognized Spack command or extension command; check with `spack commands`.

Did you mean one of the following commands?
  spec
  patch
```

* Add package name suggestions

* Remove suggestion to run spack clean -m
2023-11-05 14:32:09 -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
Harmen Stoppels
4755b28398
Hidden modules: always append hash (#40868) 2023-11-05 08:56:11 +01:00
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
Veselin Dobrev
5a67c578b7
mfem: allow cuda/rocm builds with superlu-dist built without cuda/rocm (#40847) 2023-11-04 20:15:56 -05:00
Michael Kuhn
e47be18acb
c-blosc: add v1.21.5 (#40888) 2023-11-04 16:51:37 -07:00