Package - openmolcas

Package:  openmolcas
apt-get install openmolcas

Primary informations

Download package: http://deb.debian.org/debian/pool/main/o/openmolcas/openmolcas_25.02-2_amd64.deb (Size: 30.1MiB)

PropertyValue
Packageopenmolcas
Version25.02-2
Installed-Size1441829
MaintainerDebichem Team
Architectureamd64
Dependslibc6 (>= 2.34), libgcc-s1 (>= 3.0), libgfortran5 (>= 10), libgomp1 (>= 4.4), libhdf5-310 (>= 1.14.3), libopenblas64-0 | libblas64.so.3, libopenblas64-0 | liblapack64.so.3, libxc9 (>= 5.2.2), openmolcas-data (= 25.02-2), python3, python3-lxml, python3-pyparsing
DescriptionQuantum chemistry software package
Description-md5e8a0dd0656a437aaf4da8d1c4785403f
Homepagehttps://gitlab.com/Molcas/OpenMolcas
Sectionscience
Priorityoptional
Filenamepool/main/o/openmolcas/openmolcas_25.02-2_amd64.deb
Size31535660
MD5sumba972c0d20d576eef216439e6e782ff0
SHA25658600e38eecab40a8247c80d69d2cd33c0778474fed982ded29b11489a97d85e

Files in package

  • /usr/bin/pymolcas
  • /usr/lib/openmolcas/alaska.exe
  • /usr/lib/openmolcas/averd.exe
  • /usr/lib/openmolcas/caspt2.exe
  • /usr/lib/openmolcas/casvb.exe
  • /usr/lib/openmolcas/ccsdt.exe
  • /usr/lib/openmolcas/chcc.exe
  • /usr/lib/openmolcas/cht3.exe
  • /usr/lib/openmolcas/cpf.exe
  • /usr/lib/openmolcas/dynamix.exe
  • /usr/lib/openmolcas/espf.exe
  • /usr/lib/openmolcas/expbas.exe
  • /usr/lib/openmolcas/extf.exe
  • /usr/lib/openmolcas/false.exe
  • /usr/lib/openmolcas/ffpt.exe
  • /usr/lib/openmolcas/find_sources
  • /usr/lib/openmolcas/gateway.exe
  • /usr/lib/openmolcas/genano.exe
  • /usr/lib/openmolcas/grid_it.exe
  • /usr/lib/openmolcas/guessorb.exe
  • /usr/lib/openmolcas/guga.exe
  • /usr/lib/openmolcas/gugaci.exe
  • /usr/lib/openmolcas/gugadrt.exe
  • /usr/lib/openmolcas/have_feature
  • /usr/lib/openmolcas/help_basis
  • /usr/lib/openmolcas/help_doc
  • /usr/lib/openmolcas/help_func
  • /usr/lib/openmolcas/last_energy.exe
  • /usr/lib/openmolcas/level.exe
  • /usr/lib/openmolcas/localisation.exe
  • /usr/lib/openmolcas/loprop.exe
  • /usr/lib/openmolcas/mbpt2.exe
  • /usr/lib/openmolcas/mckinley.exe
  • /usr/lib/openmolcas/mclr.exe
  • /usr/lib/openmolcas/mcpdft.exe
  • /usr/lib/openmolcas/motra.exe
  • /usr/lib/openmolcas/mpprop.exe
  • /usr/lib/openmolcas/mrci.exe
  • /usr/lib/openmolcas/mula.exe
  • /usr/lib/openmolcas/numerical_gradient.exe
  • /usr/lib/openmolcas/parnell.exe
  • /usr/lib/openmolcas/poly_aniso.exe
  • /usr/lib/openmolcas/qmstat.exe
  • /usr/lib/openmolcas/quater.exe
  • /usr/lib/openmolcas/rasscf.exe
  • /usr/lib/openmolcas/rassi.exe
  • /usr/lib/openmolcas/rhodyn.exe
  • /usr/lib/openmolcas/rpa.exe
  • /usr/lib/openmolcas/scf.exe
  • /usr/lib/openmolcas/seward.exe
  • /usr/lib/openmolcas/single_aniso.exe
  • /usr/lib/openmolcas/slapaf.exe
  • /usr/lib/openmolcas/surfacehop.exe
  • /usr/lib/openmolcas/verify
  • /usr/lib/openmolcas/version
  • /usr/lib/openmolcas/vibrot.exe
  • /usr/share/doc/openmolcas/README.md
  • /usr/share/doc/openmolcas/changelog.Debian.gz
  • /usr/share/doc/openmolcas/copyright
  • /usr/share/openmolcas/bin