| Message ID | 2044bf6af204b5384987458a22229cb0415a6a36.1712828385.git.monego@posteo.net |
|---|---|
| State | New |
| Headers | show |
| Series | [bug#70336] gnu: Add python-libensemble. | expand |
On 2024-04-11 09:42, Vinicius Monego wrote: > * gnu/packages/maths.scm (python-libensemble): New variable. > > Change-Id: I45d4ba209af746f22f3f6c74a01063726478de0f > --- > gnu/packages/maths.scm | 53 ++++++++++++++++++++++++++++++++++++++++++ > 1 file changed, 53 insertions(+) > > diff --git a/gnu/packages/maths.scm b/gnu/packages/maths.scm > index 03760f3f3e..6f7e67329e 100644 > --- a/gnu/packages/maths.scm > +++ b/gnu/packages/maths.scm > @@ -839,6 +839,59 @@ (define-public glpk-4 > (base32 > "040sfaa9jclg2nqdh83w71sv9rc1sznpnfiripjdyr48cady50a2")))))) > > +(define-public python-libensemble > + (package > + (name "python-libensemble") > + (version "1.2.2") > + (source > + (origin > + (method url-fetch) > + (uri (pypi-uri "libensemble" version)) > + (sha256 > + (base32 "0y46b8rk3dnnjnap76l80cj3ddkjcic1vcl706cajac19vnk8vlk")))) > + (build-system pyproject-build-system) > + (native-inputs (list ncurses > + python-mock > + python-mpi4py > + python-pytest > + python-pytest-cov > + python-pytest-timeout)) > + (propagated-inputs (list python-numpy > + python-psutil > + python-pydantic-2 > + python-pyyaml > + python-tomli)) > + (arguments > + (list > + #:phases > + #~(modify-phases %standard-phases > + (add-after 'unpack 'relax-psutil > + (lambda _ > + (substitute* "setup.py" > + (("psutil>=5.9.4") "psutil>=5.9.2")))) > + (replace 'check > + (lambda* (#:key tests? #:allow-other-keys) > + (when tests? > + ;; These files require MPI and call subprocesses. > + (delete-file > + "libensemble/tests/unit_tests/test_executor.py") > + (delete-file > + "libensemble/tests/unit_tests/test_executor_gpus.py") > + ;; Run only unit tests, regression tests require MPI. > + (setenv "TERM" "xterm") > + ;; A very bad way to skip another MPI test. > + (substitute* "libensemble/tests/run-tests.sh" > + (("export UNIT_TEST_MPI_SUBDIR=.*") > + "export UNIT_TEST_MPI_SUBDIR=''")) > + ;; Run the test script. > + (invoke "bash" "libensemble/tests/run-tests.sh" "-u"))))))) > + (home-page "https://github.com/Libensemble/libensemble") > + (synopsis "Toolkit for dynamic ensembles of calculations") > + (description "@code{libensemble} is a a complete toolkit for dynamic Just a little typo here (double a), otherwise LGTM. guix lint only complains on archival, but it's fine. built and rebuilt. > +ensembles of calculations. It connects @code{deciders} to experiments or > +simulations.") > + (license license:bsd-3))) > + > (define-public linasm > (package > (name "linasm") > > base-commit: 51de844a0ff6ea224367a384092896bce6848b9f
diff --git a/gnu/packages/maths.scm b/gnu/packages/maths.scm index 03760f3f3e..6f7e67329e 100644 --- a/gnu/packages/maths.scm +++ b/gnu/packages/maths.scm @@ -839,6 +839,59 @@ (define-public glpk-4 (base32 "040sfaa9jclg2nqdh83w71sv9rc1sznpnfiripjdyr48cady50a2")))))) +(define-public python-libensemble + (package + (name "python-libensemble") + (version "1.2.2") + (source + (origin + (method url-fetch) + (uri (pypi-uri "libensemble" version)) + (sha256 + (base32 "0y46b8rk3dnnjnap76l80cj3ddkjcic1vcl706cajac19vnk8vlk")))) + (build-system pyproject-build-system) + (native-inputs (list ncurses + python-mock + python-mpi4py + python-pytest + python-pytest-cov + python-pytest-timeout)) + (propagated-inputs (list python-numpy + python-psutil + python-pydantic-2 + python-pyyaml + python-tomli)) + (arguments + (list + #:phases + #~(modify-phases %standard-phases + (add-after 'unpack 'relax-psutil + (lambda _ + (substitute* "setup.py" + (("psutil>=5.9.4") "psutil>=5.9.2")))) + (replace 'check + (lambda* (#:key tests? #:allow-other-keys) + (when tests? + ;; These files require MPI and call subprocesses. + (delete-file + "libensemble/tests/unit_tests/test_executor.py") + (delete-file + "libensemble/tests/unit_tests/test_executor_gpus.py") + ;; Run only unit tests, regression tests require MPI. + (setenv "TERM" "xterm") + ;; A very bad way to skip another MPI test. + (substitute* "libensemble/tests/run-tests.sh" + (("export UNIT_TEST_MPI_SUBDIR=.*") + "export UNIT_TEST_MPI_SUBDIR=''")) + ;; Run the test script. + (invoke "bash" "libensemble/tests/run-tests.sh" "-u"))))))) + (home-page "https://github.com/Libensemble/libensemble") + (synopsis "Toolkit for dynamic ensembles of calculations") + (description "@code{libensemble} is a a complete toolkit for dynamic +ensembles of calculations. It connects @code{deciders} to experiments or +simulations.") + (license license:bsd-3))) + (define-public linasm (package (name "linasm")