Spack-installed Perl always has opcode support, but external Perl
installations might not. This commit adds a +opcode variant and
updates the external detection logic to check for opcode support.
The postgresql package is updated to require perl+opcode (in
combination with the above, this helps detect when an external
Perl instance is sufficient for a Spack build of postgreqsql, or
if Spack needs to build its own Perl).
* Update cp2k recipe to use cmake or the current build system
Offers the possibility to build cp2k with the new cmake build system. commands like this are now supported
spack install cp2k@master build_system=cmake +.....
the recipe supports the following optional functionalities
- superlu, cosma, sirius, spglib, metis, spglib, libxc, libint, cuda/rocm, mkl/openblas/sci (and others), mpi, openmp, dbcsr
- dbcsr is built separately using the currently available recipe.
Two PRs need to be merged to be fully functional (cosma update in spack + one PR in cp2k github).
* Fix indentation
* Fix indentation
* Update libvori
* More typos
* Simplify BLAS/LAPACK
* Simplify BLAS/LAPACK
* Add A100 gpu value
* Fix typo
* Add the enable_regtests option
if -DCP2K_ENABLE_REGTESTS=ON (+enable_regtests with spack) then the location of the binary executables will be in the cp2k root directory under exe/build-cmake-*. This option is needed to run the regtests afterwards.
* Minor update
* more fixes
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
* small changes
* Remove any reference to nvidia architecture in the rocm list
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Update var/spack/repos/builtin/packages/cp2k/package.py
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
* Final reformating
* Update py-fypp
---------
Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
Co-authored-by: Alberto Invernizzi <9337627+albestro@users.noreply.github.com>
People frequently ask us how to pipe `spack find` output to other commands, and we tell
them to do things like this:
```console
$ spack find --format "/{hash}" | spack uninstall -ay
```
Sometimes users don't know about hash references and come up with potentially ambiguous
formulations like this:
```console
spack find --format {name}@{version}%{compiler} | spack uninstall -ay
```
Since this is a common enough thing to want to do, and to make it more obvious how, this
PR adds a `-H` / `--hashes` as a shortcut, so you can now just do:
```console
spack find -H | spack uninstall -ay
```
* Added packages bitstruct, callmonitor, and PYnvtx
* Revert "Added packages bitstruct, callmonitor, and PYnvtx"
This reverts commit 76d25aa76bf4655a85c78725fe5c76c1792717c9.
* py-bitstruct: This module is intended to have a similar interface as the python struct module, but working on bits instead of primitive data types (char, int, …)
* Update package.py
To pass the style prechecks
* PyNVTX: new package
* Delete package.py
Accidentally added this package.
* Update var/spack/repos/builtin/packages/py-bitstruct/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: eugeneswalker <38933153+eugeneswalker@users.noreply.github.com>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* openssl: prefer 3.x
This PR is not intended to be merged immediately, but it would be good
to see what packages fail to build in CI so that we can get proper
version constraints on openssl (before all packages update and support
both openssl 1 and 3)
* Disable assembly for 3.x %oneapi
* cmake: depend on spack curl, to deal with curl - openssl compat
* also make zlib external
* remove overly strict & unsafe requirement on py-cryptographty patch version number
* update openssl compat bounds in py-cryptography
* smaller diff
* Make libssh2 an autotools/cmake package
* fix weird upperbound in libssh2 as there is not openssl v2
* libssh2: pc file lists plain -lssl -lcrypto w/o leading -L flag, confusing libgit2 parsing of pkg-config output
* Actually fix the issue in libssh2: its pc file looks broken
`"%s" % spec` formats the spec with deps included, which produces sometimes KBs
of data and is slow to run in pure Python. It can delay otherwise very short-lived
read/write locks on the database.
Discovered in #38762 where profile output showed about 2 seconds is spent in
`spec.format`, which is significant overhead when using multiprocessing to install
from binary cache in parallel (installation often takes <5s for small packages). With
this change, `spec.format` no longer shows up in profile output.
(This line hasn't changed since Spack v0.9 ;p)
* move format() call to custom NoSuchSpecError exception
* add a comment saying why, so we can eventually change `Spec.__str__`
* qt-base: new version 6.5.0
* qt-declarative: new version 6.5.0
* qt-quick3d: new version 6.5.0
* qt-quicktimeline: new version 6.5.0
* qt-shadertools: new version 6.5.0
* qt-*: new version 6.5.1
* qt-base: new version 6.5.1
* py-pyarrow: enable parquet variant by default
* Disable parquet variant by default
* Add conflict to enable parquet when dataset is active
* Disable dataset variant by default
* initial commit of nanobind package
* style fixes
* Update package.py
Typo
* addressed PR comments
* add v1.4.0
* Update var/spack/repos/builtin/packages/py-nanobind/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
---------
Co-authored-by: Matthew Archer <ma595@cam.ac.uk>
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-astropy: fix import tests and restrict py-pip version
* Fix --install-option name in comments
* Rename variant and fix variant dependencies
* Remove parquet variant from py-pyarrow
1. Fix O(n^2) iteration in `_get_overwrite_specs`
2. Early exit `get_by_hash` on full hash
3. Fix O(n^2) double lookup in `all_matching_specs` with hashes
4. Fix some legibility issues
* mlpack: new package
mlpack is an intuitive, fast, and flexible header-only C++ machine learning library with bindings to other languages. It is meant to be a machine learning analog to LAPACK, and aims to implement a wide array of machine learning methods and functions as a "swiss army knife" for machine learning researchers.
* mlpack: upstream merged patch to allow python installation in spack
* Added v5.0.0 of PyAMG. This required v7.1.0 of setuptools_scm due to a bug in 7.0.5.
* Added comment about version requirement.
* Loosened dependency based on build experiments.
* Updated tomli deps.
* Update var/spack/repos/builtin/packages/py-setuptools-scm/package.py
Dependence for 7.0 only.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/py-pyamg/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Swapped lines.
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* py-pip: add 23.1.2
* Restrict py-pip version for py-protobuf
* Restrict py-pip version for straightforward packages
* Restrict py-pip version for nrm
* Fix --install-option name in comments
* Simplify py-pip restriction for py-scs
* nrm: fix wrong comment
* py-spglib: add 2.0.2
* Update var/spack/repos/builtin/packages/py-spglib/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Remove py-setuptools as run dependency
---------
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Add maintainers
* Updated cosma archive checksum and costa version
- updated cosma version (in the cosma build system)
- updated costa version
- use the default generic url for downloading packages
- do not build tiled-mm when the cpu only version is needed
Signed-off-by: Dr. Mathieu Taillefumier <mathieu.taillefumier@free.fr>
Co-authored-by: Rocco Meli <r.meli@bluemail.ch>
Co-authored-by: Harmen Stoppels <harmenstoppels@gmail.com>
