python-nequip

LOW

maintainer harrietobrien 0 votes scanned 2026-10-30 03:55:04.906523

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Uploaded within the last 14 days with 2 or fewer community votes — little peer review so far.

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Low Few votes, recently uploaded zero_votes_recent

Uploaded within the last 14 days with 2 or fewer community votes — little peer review so far.

PKGBUILD

      1# Maintainer: Harriet O'Brien <harrietobrien@protonmail.com>
    
      2
    
      3pkgname=python-nequip
    
      4_pkgname=nequip
    
      5pkgver=0.19.1
    
      6pkgrel=1
    
      7pkgdesc="E(3)-equivariant interatomic potentials"
    
      8arch=('any')
    
      9url="https://github.com/mir-group/nequip"
    
      10license=('MIT')
    
      11depends=(
    
      12    'python>=3.9'
    
      13    'python-pytorch'
    
      14    'python-numpy'
    
      15    'python-matscipy'
    
      16    'python-ase'
    
      17    'python-lmdb'
    
      18    'python-tqdm'
    
      19    'python-e3nn'
    
      20    'python-yaml'
    
      21    'python-hydra-core'
    
      22    'python-torchmetrics'
    
      23    'python-requests'
    
      24)
    
      25optdepends=(
    
      26    'python-lightning: training framework (install via pip: pip install lightning)'
    
      27)
    
      28makedepends=(
    
      29    'python-build'
    
      30    'python-installer'
    
      31    'python-setuptools'
    
      32    'python-wheel'
    
      33)
    
      34source=("${_pkgname}-${pkgver}.tar.gz::https://github.com/mir-group/nequip/archive/refs/tags/v${pkgver}.tar.gz")
    
      35sha256sums=('b2d676b3ac3e2cfd3270f948adf11efe1dd7ab8d21617ff5b30ac90d8f3254fd')
    
      36
    
      37build() {
    
      38    cd "${_pkgname}-${pkgver}"
    
      39    /usr/bin/python -m build --wheel --no-isolation
    
      40}
    
      41
    
      42package() {
    
      43    cd "${_pkgname}-${pkgver}"
    
      44    /usr/bin/python -m installer --destdir="${pkgdir}" dist/*.whl
    
      45    install -Dm644 LICENSE -t "${pkgdir}/usr/share/licenses/${pkgname}/"
    
      46}
    
      47

Scan history

Scanned at (UTC)	Severity	Rules
2026-10-30 03:55:04	Low	1