.SRCINFO


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pkgbase = ambertools
	pkgdesc = Biomolecular simulation package (tools only)
	pkgver = 24.00
	pkgrel = 4
	url = http://ambermd.org/
	arch = x86_64
	license = GPL-3.0-or-later AND LGPL-3.0-or-later AND BSD-3-Clause AND MIT
	makedepends = cmake
	makedepends = cython
	makedepends = gcc13-fortran
	depends = blas
	depends = boost
	depends = bzip2
	depends = fftw
	depends = lapack
	depends = netcdf
	depends = python-matplotlib
	depends = python-scipy
	depends = readline
	depends = tk
	depends = zlib
	depends = gcc13-libs
	optdepends = cuda: GPU acceleration support
	optdepends = openmpi: MPI support
	optdepends = mpich: MPI support
	optdepends = python-mpi4py: MPI support (Python tools)
	options = !buildflags
	source = https://ambermd.org/downloads/AmberTools24_rc5.tar.bz2
	source = 0001-Allow-using-newer-CUDA.patch
	source = 0002-Use-cxx14-for-Boost.patch
	source = 0003-NumPy-2-compatibility.patch
	source = 50-ambertools.conf
	sha256sums = 52fb4fb3370a89b7ce738a2dc3e513c2fc1943fde4b4381846d9e75cc48d840f
	sha256sums = e5da8dd8bc22a98142e36dcf336d8d008378070b4aa4389d8aa75a25a2041f9a
	sha256sums = 216de362c73dce1b214be2c12f8f31913f83bb22863ae15311dc3336c70b2bd8
	sha256sums = 4104d0dc4c381930c100b11a198bb1b16c89d1f6b5071e4e6be542d2f1492e8e
	sha256sums = 38835459f9710fc33bf2a96f4dfa26aef08d21754aec2e297032c214c4e781ef

pkgname = ambertools