openmolcas (26.02-1)

Details

Core information at a glance

Distribution
ubuntu
Origin
ubuntu-stonking
Repository
https://nl.archive.ubuntu.com/ubuntu
Codename
stonking
Component
universe
Source
none
Architecture
amd64
Section
universe/science
Priority
optional
Maintainer
Ubuntu Developers <[email protected]>

Size & integrity

Byte sizes and integrity verification

Installed size
1.4 MB
Size expected
32.5 MB
Size actual
32.5 MB
Size match

Dependencies

Required package dependencies

  • libc6 (>= 2.35)
  • 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 (= 26.02-1)
  • python3
  • python3-lxml
  • python3-pyparsing

Suggested packages

Recommended additional packages

  • None

Description

Quantum chemistry software package

Tags

Package classification tags

None

Checksums

Hash values and integrity verification status

TypeActualMatch
MD55fd48dcc…b658958e
SHA-1870157e0…3311711b
SHA-256548464d6…59590358
SHA-512ddb411a8…8ddd68b0

Contents

Files and directories included

.
usr
usr/bin
usr/bin/pymolcas
usr/lib
usr/lib/openmolcas
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
usr/share/doc
usr/share/doc/openmolcas
usr/share/doc/openmolcas/README.md
usr/share/doc/openmolcas/changelog.Debian.gz
usr/share/doc/openmolcas/copyright
usr/share/openmolcas
usr/share/openmolcas/bin