/
.env.example
27 lines (22 loc) · 1.47 KB
/
.env.example
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BUILD_VERSION=v2.0.0
WRAPPER_TAG=v1.0.0
BASE_IMAGE=registry.gitlab.cc-asp.fraunhofer.de/reaxpro/simphony-catalytic
INSTALL_SLURM=no
SLURM_VERSION=23.02.4
WRAPPER_DEPS_INSTALL=https://github.com/SCM-NV/pyZacros/archive/refs/tags/v.1.2.zip https://github.com/mbracconi/adaptiveDesignProcedure/archive/refs/tags/v1.4.1.zip
WRAPPER_DEPS_EXTRA=git+https://github.com/SCM-NV/PLAMS@7661960a9db53249a0b77935dacc8a7668c2489b
PYTHON_BIN=python3
REAXPRO_FASTAPI_HOST=0.0.0.0
REAXPRO_FASTAPI_PORT=8080
REAXPRO_WORKER_CONCURRENCY=5
REAXPRO_SCHEMAS="osp.models.multiscale.co_pt111_full:COPt111FullscaleModel| osp.models.multiscale.co_pt111_full:COPt111FromMesoScaleModel | osp.models.multiscale.co_pt111_meso:PESExploration | osp.models.multiscale.co_pt111_meso:COPt111MesoscaleModel | osp.models.catalytic.co_catalyticfoam:COCatalyticFOAMModel | osp.models.ams.energy_landscape_refinement:EnergyLandscapeRefinement | osp.models.zacros.co_pyzacros:COpyZacrosModel"
REAXPRO_WORKER_MAPPING="emmo.ContinuumCalculation:simphony-catalyticfoam|emmo.AtomisticCalculation:simphony-ams|emmo.MesoscopicCalculation:simphony-zacros"
AMSHOME=/data/volume_1/Software/ams2022
ADFHOME=/data/volume_1/Software/ams2022
ADFBIN=/data/volume_1/Software/ams2022/bin
AMSBIN=/data/volume_1/Software/ams2022/bin
AMSRESOURCES=/data/volume_1/Software/ams2022/atomicdata
ADFRESOURCES=/data/volume_1/Software/ams2022/atomicdata
SCMLICENSE=/data/volume_1/Software/ams2022/license.txt
REAXPRO_MINIO_USER=rootname
REAXPRO_MINIO_PASSWORD=rootname123