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| author | Hector Martinez-Seara | 2024-05-03 14:59:08 +0200 |
|---|---|---|
| committer | Hector Martinez-Seara | 2024-05-03 14:59:08 +0200 |
| commit | 84844e2f3aa896be348567632d5b0eb63283473d (patch) | |
| tree | f95413058aab520ddfaaf3c16b44dc81db2108b5 | |
| parent | fe8d18e94ab4c9d5ea906485146ee1c4d4f4248e (diff) | |
| download | aur-84844e2f3aa896be348567632d5b0eb63283473d.tar.gz | |
Updated 2.7.0
| -rw-r--r-- | .SRCINFO | 10 | ||||
| -rw-r--r-- | 0001-Allow-using-newer-numpy.patch | 9 | ||||
| -rw-r--r-- | PKGBUILD | 12 |
3 files changed, 17 insertions, 14 deletions
@@ -1,6 +1,6 @@ pkgbase = python-mdanalysis pkgdesc = An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. - pkgver = 2.6.1 + pkgver = 2.7.0 pkgrel = 1 url = http://www.mdanalysis.org/ arch = x86_64 @@ -18,13 +18,15 @@ pkgbase = python-mdanalysis depends = python-biopython depends = python-fasteners depends = python-packaging + depends = python-build + depends = python-installer optdepends = python-matplotlib: to use all MDAnalysis functions optdepends = python-joblib: to use all MDAnalysis functions optdepends = python-netcdf4: to operate on AMBER binary trajectories optdepends = python-networkx: for analysis of lipid leaflets via MDAnalysis.analysis.leaflet - source = https://github.com/MDAnalysis/mdanalysis/archive/refs/tags/package-2.6.1.tar.gz + source = https://github.com/MDAnalysis/mdanalysis/archive/refs/tags/package-2.7.0.tar.gz source = 0001-Allow-using-newer-numpy.patch - sha256sums = cdeeaef733ad0ec8d41a2961c3c445d7de4c8b2a8b6c76ac9321ed820872a3a6 - sha256sums = e4391d3c6a75e8b2a0275ff9799afbfbec2f9897f195ce003fc17e4b9f5ef75e + sha256sums = 06dc48170945271c9e52532b896f3e8b622026b7fb3683f5ec49a323b97ce800 + sha256sums = 0e1633cf4295b70a561ba50f8870e6bad0f96c51fa9cb984bff8333abe24145a pkgname = python-mdanalysis diff --git a/0001-Allow-using-newer-numpy.patch b/0001-Allow-using-newer-numpy.patch index 041567338e04..b2d5226aee50 100644 --- a/0001-Allow-using-newer-numpy.patch +++ b/0001-Allow-using-newer-numpy.patch @@ -1,11 +1,12 @@ --- a/pyproject.toml +++ b/pyproject.toml -@@ -13,7 +13,7 @@ requires = [ +@@ -13,8 +13,8 @@ requires = [ # on other archs "numpy==1.22.3; python_version=='3.9' and platform_python_implementation != 'PyPy'", "numpy==1.22.3; python_version=='3.10' and platform_python_implementation != 'PyPy'", -- "numpy==1.23.2; python_version=='3.11' and platform_python_implementation != 'PyPy'", -+ "numpy>=1.23.2; python_version=='3.11' and platform_python_implementation != 'PyPy'", + "numpy==1.23.2; python_version=='3.11' and platform_python_implementation != 'PyPy'", +- "numpy==1.26.0; python_version=='3.12' and platform_python_implementation != 'PyPy'", ++ "numpy>=1.26.0; python_version=='3.12' and platform_python_implementation != 'PyPy'", # For unreleased versions of Python there is currently no known supported # NumPy version. In that case we just let it be a bare NumPy install - "numpy<2.0; python_version>='3.12'", + "numpy<2.0; python_version>='3.13'", @@ -2,23 +2,23 @@ # Maintainer: Vedran Miletic <vedran AT miletic DOT net> pkgname=python-mdanalysis -pkgver=2.6.1 +pkgver=2.7.0 pkgrel=1 pkgdesc="An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber." url="http://www.mdanalysis.org/" license=("GPL") arch=('x86_64') -depends=('python-numpy' 'cython' 'python-mmtf' 'python-gsd' 'python-tqdm' 'python-griddataformats' 'python-scipy' 'python-biopython' 'python-fasteners' 'python-packaging') +depends=('python-numpy' 'cython' 'python-mmtf' 'python-gsd' 'python-tqdm' 'python-griddataformats' 'python-scipy' 'python-biopython' 'python-fasteners' 'python-packaging' 'python-build' 'python-installer') makedepends=("python-build" "python-installer" "python-wheel") optdepends=('python-matplotlib: to use all MDAnalysis functions' 'python-joblib: to use all MDAnalysis functions' 'python-netcdf4: to operate on AMBER binary trajectories' 'python-networkx: for analysis of lipid leaflets via MDAnalysis.analysis.leaflet') -source=(https://github.com/MDAnalysis/mdanalysis/archive/refs/tags/package-$pkgver.tar.gz - 0001-Allow-using-newer-numpy.patch) -sha256sums=('cdeeaef733ad0ec8d41a2961c3c445d7de4c8b2a8b6c76ac9321ed820872a3a6' - 'e4391d3c6a75e8b2a0275ff9799afbfbec2f9897f195ce003fc17e4b9f5ef75e') + source=(https://github.com/MDAnalysis/mdanalysis/archive/refs/tags/package-$pkgver.tar.gz + 0001-Allow-using-newer-numpy.patch) +sha256sums=('06dc48170945271c9e52532b896f3e8b622026b7fb3683f5ec49a323b97ce800' + '0e1633cf4295b70a561ba50f8870e6bad0f96c51fa9cb984bff8333abe24145a') build() { cd $srcdir/mdanalysis-package-$pkgver/package |