python-packflow

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-packflow
    
      4_pkgname=packflow
    
      5_commit=9fa158a85701897bbb113192df708930e2d9edf9
    
      6pkgver=1.0.0
    
      7pkgrel=1
    
      8pkgdesc="Flow matching for molecular crystal structure prediction with GRPO post-training"
    
      9arch=('any')
    
      10url="https://github.com/learningmatter-mit/PackFlow"
    
      11license=('MIT')
    
      12depends=(
    
      13    'python-numpy'
    
      14    'python-scipy'
    
      15    'python-pandas'
    
      16    'python-matplotlib'
    
      17    'python-tqdm'
    
      18    'python-yaml'
    
      19    'python-pytorch'
    
      20    'python-torch-geometric'
    
      21    'python-pymatgen-core'
    
      22    'python-ase'
    
      23    'python-scikit-learn'
    
      24    'python-networkx'
    
      25    'python-e3nn'
    
      26    'spglib'
    
      27    'python-joblib'
    
      28    'python-huggingface-hub'
    
      29)
    
      30optdepends=(
    
      31    'python-rdkit: molecular crystal support'
    
      32    'python-einops: tensor operations'
    
      33    'python-gemmi: crystallographic file handling'
    
      34)
    
      35makedepends=(
    
      36    'python-build'
    
      37    'python-installer'
    
      38    'python-hatchling'
    
      39    'python-wheel'
    
      40)
    
      41source=("${_pkgname}-${pkgver}.tar.gz::https://github.com/learningmatter-mit/PackFlow/archive/${_commit}.tar.gz")
    
      42sha256sums=('7be6bb8dcb3d78827cc9740990e6015b87f2cce697722f223c4f244271a97aad')
    
      43
    
      44build() {
    
      45    cd "${_pkgname}-${_commit}"
    
      46    /usr/bin/python -m build --wheel --no-isolation
    
      47}
    
      48
    
      49package() {
    
      50    cd "${_pkgname}-${_commit}"
    
      51    /usr/bin/python -m installer --destdir="${pkgdir}" dist/*.whl
    
      52    install -Dm644 LICENSE -t "${pkgdir}/usr/share/licenses/${pkgname}/"
    
      53}
    
      54

Scan history

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