#%Module1.0

module-whatis       "qFit - automated multiconformer model building for X-ray and cryo-EM"
module-url          "https://github.com/ExcitedStates/qfit-3.0"
module-license      "MIT"
module-maintainer   "MX Data <jiaxin.duan@psi.ch>"

module-help     "
qFit 3: qfit_protein, qfit_ligand, qfit_covalent_ligand and friends,
in a private Python venv. MIQP solvers: cvxopt + IBM CPLEX Community
Edition (3.x) or cvxpy + SCIP (2024.3+). The post-refinement scripts
(qfit_final_refine_xray.sh) expect phenix on PATH - load a phenix
module for those.
"

setenv          QFIT_ENV    $PREFIX/venv
prepend-path    PATH        $PREFIX/venv/bin