guix_mirror_bot pushed a commit to branch master
in repository guix.
commit 718b20f0a8b52293c6fe1cabe1acd0fe7fbba51b
Author: Nigko Yerden <[email protected]>
AuthorDate: Thu Dec 25 11:29:09 2025 +0500
gnu: Add alps.
* gnu/packages/physics.scm (alps): New variable.
Merges: https://codeberg.org/guix/guix/pulls/4815
Change-Id: I1502dfa9f41d2c6c9a3199bef9d43c20fd5aff54
Reviewed-by: Andrew Wong <[email protected]>
Signed-off-by: Sharlatan Hellseher <[email protected]>
---
gnu/packages/physics.scm | 104 +++++++++++++++++++++++++++++++++++++++++++++++
1 file changed, 104 insertions(+)
diff --git a/gnu/packages/physics.scm b/gnu/packages/physics.scm
index 8468532de9..f6d63e1016 100644
--- a/gnu/packages/physics.scm
+++ b/gnu/packages/physics.scm
@@ -1,4 +1,5 @@
;;; Copyright © 2026 Danny Milosavljevic <[email protected]>
+;;; Copyright © 2025 Nigko Yerden <[email protected]>
;;;
;;; This file is part of GNU Guix.
;;;
@@ -44,6 +45,7 @@
#:use-module (gnu packages jupyter)
#:use-module (gnu packages machine-learning)
#:use-module (gnu packages maths)
+ #:use-module (gnu packages mpi)
#:use-module (gnu packages networking)
#:use-module (gnu packages ninja)
#:use-module (gnu packages noweb)
@@ -62,8 +64,110 @@
#:use-module (gnu packages tbb)
#:use-module (gnu packages time)
#:use-module (gnu packages tls)
+ #:use-module (gnu packages xml)
#:use-module (gnu packages xorg))
+(define-public alps
+ (package
+ (name "alps")
+ (version "2.3.3")
+ (source
+ (origin
+ (method git-fetch)
+ (uri (git-reference
+ (url "https://github.com/ALPSim/ALPS";)
+ (commit (string-append "v" version))))
+ (file-name (git-file-name name version))
+ (sha256
+ (base32 "1dlmfl73dgw0ry7bcvdlr0p5fz0h62xn6c00vrpnjk60kj8cxsnr"))))
+ (build-system cmake-build-system)
+ (arguments
+ (list
+ #:parallel-tests? #f
+ #:configure-flags
+ #~(list "-DALPS_ENABLE_OPENMP=ON"
+ "-DALPS_BUILD_PYTHON=ON"
+ "-DALPS_BUILD_FORTRAN=ON")
+ #:phases
+ #~(modify-phases %standard-phases
+ ;; Below is a workaround borrowed from the hdf5 package
+ ;; for the problem with including <fenv.h> gfortran header
+ (add-after 'set-paths 'hide-gfortran
+ (lambda _
+ (let ((gfortran #$(this-package-input "gfortran")))
+ (setenv "CPLUS_INCLUDE_PATH"
+ (string-join
+ (delete (string-append gfortran "/include/c++")
+ (string-split (getenv "CPLUS_INCLUDE_PATH")
#\:))
+ ":")))))
+ (add-after 'unpack 'rewrite-find-boost-cmake
+ (lambda _
+ (let ((boost-components '("chrono" "timer" "date_time"
+ "filesystem" "iostreams"
+ "program_options" "regex"
+ "serialization" "thread"
+ "python" "mpi" "numpy")))
+ (call-with-output-file "config/FindBoostForALPS.cmake"
+ (lambda (port)
+ (display "find_package(Boost REQUIRED COMPONENTS" port)
+ (for-each (lambda (x)
+ (format port "\n~a" x)) boost-components)
+ (display ")\n" port)
+ (display "set(ALPS_HAVE_BOOST_NUMPY ON)\n" port))))))
+ (add-after 'rewrite-find-boost-cmake 'fix-cmake-cxx-flags
+ (lambda _
+ (substitute* "CMakeLists.txt"
+ (("^set\\(CMAKE_CXX_FLAGS .* -fpermissive.*\\)")
+ (string-append "set(CMAKE_CXX_FLAGS \""
+ "${CMAKE_CXX_FLAGS}"
+ " -fpermissive"
+ " -DBOOST_NO_AUTO_PTR"
+ " -DBOOST_FILESYSTEM_NO_CXX20_ATOMIC_REF"
+ " -DBOOST_AC_USE_PTHREADS"
+ ;; For boost-1.89 the flag below leads
+ ;; to weird errors in tests:
+ ;; " -DBOOST_SP_USE_PTHREADS"
+ " -DBOOST_TIMER_ENABLE_DEPRECATED"
+ "\")")))))
+ (add-after 'fix-cmake-cxx-flags 'reconcile-with-boost-1.89
+ (lambda _
+ (substitute*
+ '("src/alps/numeric/matrix/matrix_element_iterator.hpp"
+ "src/alps/numeric/matrix/strided_iterator.hpp")
+ (("^#include <boost/iterator/iterator_facade.hpp>" include)
+ (string-append "#include <boost/type_traits/is_same.hpp>\n"
+ "#include <boost/type_traits/add_const.hpp>\n"
+ include)))))
+ (add-after 'reconcile-with-boost-1.89 'fix-fortran-comment
+ (lambda _
+ (substitute* "src/alps/fortran/alps_fortran.h"
+ (("^\\*") "!")))))))
+ (native-inputs
+ (list python-scipy ; only used in tests
+ python-numpy))
+ (inputs
+ (list expat
+ gfortran
+ hdf5
+ python
+ openblas))
+ (propagated-inputs
+ ;; User defined applications should use the boost and openmpi libs the
+ ;; alps package compiled with.
+ (list boost-mpi-numpy
+ openmpi))
+ (home-page "https://alps.comp-phys.org/";)
+ (synopsis "Algorithms and Libraries for Physics Simulations")
+ (description
+ "The ALPS (Algorithms and Libraries for Physics Simulations) package
+provides a set of components for numerical simulations of condensed matter
+systems, including bosonic, fermionic, and spin systems with exact
+diagonalization, classical and quantum Monte Carlo, dynamical mean field
+theory, and density matrix renormalization group methods. It contains both
+ready to use applications and C++ library for simplifying the development of
+such components.")
+ (license license:expat)))
+
(define-public python-brille
(package
(name "python-brille")
