OpenMolcas-21.10-1.fc36 in Fedora Rawhide
↵ Return to the main page of OpenMolcas
View build
Search for updates
Package Info (Data from x86_64 build)
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2021-11-26 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 21.10-1 | - Update to release 21.10. |
| 2021-07-21 | Fedora Release Engineering <releng at fedoraproject dot org> - 21.06-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild |
| 2021-06-15 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 21.06-1 | - Update to release 21.06. |
| 2021-05-06 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 21.02-1 | - Disable builds on 32-bit architectures by request of upstream. - Update to release 21.02. |
| 2021-01-25 | Fedora Release Engineering <releng at fedoraproject dot org> - 20.10-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild |
| 2020-11-07 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 20.10-1 | - Update to release 20.10. |
| 2020-11-07 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 19.11-8 | - Some files necessary for pymolcas were missing. |
| 2020-08-07 | Iñaki Úcar <iucar at fedoraproject dot org> - 19.11-7 | - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager |
| 2020-08-05 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 19.11-6 | - Adapt to new CMake macros. |
| 2020-08-01 | Fedora Release Engineering <releng at fedoraproject dot org> - 19.11-5 | - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild |
Dependencies
Provides
- OpenMolcas
- OpenMolcas(x86-64)
- libalaska.so()(64bit)
- libaverd.so()(64bit)
- libcaspt2.so()(64bit)
- libcasvb.so()(64bit)
- libccsdt.so()(64bit)
- libchcc.so()(64bit)
- libcht3.so()(64bit)
- libcpf.so()(64bit)
- libdynamix.so()(64bit)
- libexpbas.so()(64bit)
- libextf.so()(64bit)
- libfalse.so()(64bit)
- libffpt.so()(64bit)
- libgateway.so()(64bit)
- libgenano.so()(64bit)
- libgrid_it.so()(64bit)
- libguessorb.so()(64bit)
- libguga.so()(64bit)
- libgugaci.so()(64bit)
- libgugadrt.so()(64bit)
- liblast_energy.so()(64bit)
- liblocalisation.so()(64bit)
- libloprop.so()(64bit)
- libmbpt2.so()(64bit)
- libmckinley.so()(64bit)
- libmclr.so()(64bit)
- libmcpdft.so()(64bit)
- libmolcas.so()(64bit)
- libmotra.so()(64bit)
- libmpprop.so()(64bit)
- libmrci.so()(64bit)
- libmula.so()(64bit)
- libnumerical_gradient.so()(64bit)
- libpoly_aniso.so()(64bit)
- libqmstat.so()(64bit)
- libquater.so()(64bit)
- librasscf.so()(64bit)
- librassi.so()(64bit)
- librpa.so()(64bit)
- libscf.so()(64bit)
- libseward.so()(64bit)
- libsingle_aniso.so()(64bit)
- libslapaf.so()(64bit)
- libsurfacehop.so()(64bit)
- libvibrot.so()(64bit)
Files
- etc/
- profile.d/
- OpenMolcas.csh
- OpenMolcas.sh
- profile.d/
- usr/
- bin/
- pymolcas
- lib/
- .build-id/
- 04/
- 98c10ae865d16c4977cbef6cd58c0ad9df73d0
- 05/
- c85d0bfac95d442a7c7e26ff26bb61baf4d78f
- 06/
- dcba0459fdf2587b8371e92539480a14ca8335
- 09/
- d4e3a16bd381da2cb5b329c0a7e58358653d7f
- 0f/
- 973c1dbfb0d87b4307310f027fed0045cdde09
- 11/
- e63d063a40a117b528c23e9d572197f2acbaad
- 12/
- c3b8b1337acecf00290a281d2c782c75a77bb5
- 14/
- 1347d3ce092ca1087cfd86c05c452d6e88edbd
- 6873dcbdf581584080e5d5868a5fe0357184a2
- 19/
- 0dbf06967b773e245e74ac5f35f6d8d646d386
- 1a/
- 11e7b60ea3ec20401b2c7e645d4795929e380a
- 1d/
- 2487ca1b9658d0cc1e974fd5f6c4481d9e38fc
- 1f/
- 256c09456b9b3ea6ca94228bd1ffc065322407
- 4b3ca6b3c3413b12eefda41ddcff648c732bbe
- 22/
- 63e696eb61258a41802d8a9e6408169387b5db
- 9c0c84845cc5d72379024fc74c47ff5a47158d
- 24/
- f93a48f25597ad4180d4333ea3380c44d62627
- 26/
- 9a8479e877c815f0e79de324260d3d9c3d6c42
- 27/
- 38cb77a535dae8881a9c543d28bb5e819877e8
- 2b/
- 8d110f8f6eb5345284ddef95d50b92e8c6d768
- 2d/
- e7e946aafc3b082775b0f12acd77e85d08f60f
- 2e/
- c83c5fd49397635080dcc37fd5a239358625c6
- 31/
- e6d39dc9fe0ba807373696fa8496852fb550d0
- 33/
- 5f7611d491efbd07eeb4a62819ad966628b59e
- 35/
- 23e7d311607618f447e91868989790e6b037dd
- 39/
- 057f885ac83d26645f0de0f680e329abe3816e
- 3a/
- bc53c83e93142c5b575d1aaf1cd363f6d564da
- 3e/
- 185600b9f80141f7883d34a58f3562f1a95f44
- 3f/
- 179568cef1a02245c857b2ec0bda5c26e96478
- fd76b003731cdd75d86ad2d14c307c8bb45f72
- 43/
- 76251f50c6c75e9c52383505bb4fb705bed72d
- 44/
- 76c766360f2173a2c6c2a75bae791a6f92fb3e
- 45/
- ce007ea052d038097e3fa4ed414dfb46f02bc5
- 4d/
- 5ea66493815a72a2cd9ac56da2180bb08657b1
- 4f/
- 9f29d039934f6503321a196b63aea8e69da638
- dc920a83c5c6ed2302134f21e4dc31f38379bb
- 50/
- f20adf199d5c15b55e65aa1059c49090a22a72
- 5a/
- 7daa571fdf00a1693cbc600251700bed8ed42f
- 5f/
- 1d61a7c1613319705be99372add74ba17dfaa8
- 60/
- 77ff04e7f74126ea4c1bceb450340f4fa7b1b4
- 62/
- 571cda1806cb8ad9b0d38b84337374b2735a97
- f88a61e86cee82bae86b9cf3df9c95f44f1596
- 66/
- 00d01ff30f4eae681ff5566cf91ac897cf6214
- 6d/
- 4ff47d4de452ca722cf6be53e9860d9d6a0d34
- 8e54882c89db85f7d1944e18ce4802bc6032da
- 75/
- 82974ad8b9cf200dede72e6159655515471d72
- 76/
- d6f582103af7c26fc67b7bdb9ebd96b0379c66
- ee55c8c52d2626d27b7cc817ce00c83cc0b49f
- 7e/
- b8c5ae21bc923eac5b4867c12a1c8e75e74750
- 7f/
- 804d1c535eea9c8164c18bfdf94b2381320969
- 84/
- b11379ff02488dd7240f3c531edc9147fb5e81
- b9e169629a8c4543d54306f1175c017c9a4a34
- 85/
- 65988a3b7f1a757fdb256657b0dd2f83dab88e
- 91/
- aa69494e331d7bfef34dc49948b5dc7623cfe6
- 92/
- 10a8ccefd64a5c63b3f19bba1c43ebfca436ca
- 93/
- 78802a66c3a8a439a90567caef51b04055af4b
- a6936b8a3fb89f9d659083a62e45ac727ce890
- 98/
- 9950d18196cbb082387a772cdd236730c68b4d
- 9a/
- 2b101f9c5cab00948c288e5fd5d0ad8f76c63d
- 9c/
- ca68c0f534bb6d6d37729daf40196038c5b298
- 9f/
- bab05590c87b7d3a579dd2df3b2c5766211332
- a3/
- 8097d319c9b3189c3de5c4613e3379792492bf
- a6/
- 1f36c99574cd3b79cd9caef35fbde8b8dea93f
- b0/
- e7a5e1fa0ebb2dd46bf15220e837e9012cdad3
- b2/
- 38a68c4df1ad935d1e45d3ed704dae6d90f20a
- b6/
- c0cc4d7b8bb2a08e5f36461ac09e7261a8eab9
- be/
- c31cd0cf01d6717b2683caf549d6843f7aa69d
- c7087fa5fc033e3e0fd3fc5ab7f433c74c263a
- c8/
- 0c7fb368ddb063f040118379a8ba3348512810
- cb/
- 8be7a2d1199f1412335d9817ac7c0423e4f989
- cf/
- 48a7ade584dd8bb6b1dfb7c4a54dfe91e08a02
- d0/
- d759edce51637286814705b3f29ebe5fbd2021
- d1/
- 08d0f19224d8901c2baf491f0aa5799c9ed5ab
- d4/
- 6ba9f51800c18ed5ba68959167ef6407ae3dea
- d5/
- 2da6c0eaeb2596a282bea5c4d0e7407ffc7a2a
- 3a7d853f628e461b37e7473f2103fb5dde82f3
- d9/
- a56b42aadb6b0cef2ed74616b28252f9b57319
- dd/
- 4c155edbbb5b5f2c0fa0f4b3ed69a0b3a7d5c1
- e3/
- 40ce9be3f0675574f0bd8380414c1b30b2e6e8
- e9/
- 2acaad99f6ce5615632a4cea1069dbb8e8d0ab
- 8df74d587e8d50568280333446ada5537e17aa
- 9b3dbf197a16d8954831a7e71b3bf82d664c82
- eb/
- 6275486f945ff26790856bd182d5a3316b7c9b
- f1/
- 5e94812b8a6888e74ed3388097b5de9eedee27
- e8337e6cdc95c5e6cc7ad32a6bba90ac7f6817
- f6/
- 91860934035ce31a561a6739742efc8f25ecc7
- f8/
- e10b28190a7d49e9dd7ceac5f1baa2f0417962
- f9/
- 498cfa005e74d7e3f900af022a684d91f216d1
- fa/
- 03bb6e433d842377387b4d19db9de0709e2382
- 123e22e81eae01f4d3a351506d37f16bdc1911
- 5e522dad02e20ebe50657735c774608f764cc6
- 04/
- .build-id/
- lib64/
- OpenMolcas/
- .molcashome
- .molcasversion
- CONTRIBUTORS.md
- LICENSE
- basis_library/
- 3-21G
- 4-31G
- 5-21G
- 6-311Gpp
- 6-31G
- 6-31Gpp
- AHLRICHS_VDZ
- AHLRICHS_VTZ
- AIMP.README
- ANO-DK3
- ANO-L
- ANO-ORCA
- ANO-R
- ANO-RCC
- ANO-RCC.README
- ANO-S
- ANO-XS
- AUG-CC-PV5Z
- AUG-CC-PV6Z
- AUG-CC-PVDZ
- AUG-CC-PVQZ
- AUG-CC-PVTZ
- AUG-PC-0
- AUG-PC-1
- AUG-PC-2
- AUG-PC-3
- AUG-PC-4
- CC-PV5Z
- CC-PV5Z-DK
- CC-PVDZ
- CC-PVDZ-DK
- CC-PVQZ
- CC-PVQZ-DK
- CC-PVTZ
- CC-PVTZ-DK
- CC-PWCV5Z-DK
- CC-PWCVQZ-DK
- CC-PWCVTZ-DK
- CG-AIMP
- DEF-SV-P
- DEF-SVP
- DEF-TZVP
- DEF2-SVP
- DEF2-TZVP
- DEF2-TZVPP
- EMB-AIMP
- JGAUSS-DZP
- LANL2DZ
- LANL2DZ_NL
- MCP-AQZP
- MCP-ATZP
- MCP-DZP
- MCP-QZP
- MCP-TZP
- MUONIC
- NP-AIMP
- NR-AIMP
- PC-0
- PC-1
- PC-2
- PC-3
- PC-4
- QRPLIB
- RAF-R
- RYDBERG
- SADLEJ_PVTZ
- SARC2-QZVP-DKH2
- STO-3G
- STUTTGART
- STUTTGART_NL
- basis.tbl
- basistype.tbl
- c_Basis/
- DEF-SV-P
- DEF-SVP
- DEF-TZVP
- basis.tbl
- basistype.tbl
- trans.tbl
- j_Basis/
- DEF-SV-P
- DEF-SVP
- DEF-TZVP
- basis.tbl
- basistype.tbl
- trans.tbl
- jk_Basis/
- CC-PVTZ
- DEF-SV-P
- DEF-SVP
- basis.tbl
- basistype.tbl
- trans.tbl
- trans.tbl
- bin/
- alaska.exe
- averd.exe
- caspt2.exe
- casvb.exe
- ccsdt.exe
- chcc.exe
- cht3.exe
- cpf.exe
- dynamix.exe
- espf.exe
- expbas.exe
- extf.exe
- false.exe
- ffpt.exe
- gateway.exe
- genano.exe
- grid_it.exe
- guessorb.exe
- guga.exe
- gugaci.exe
- gugadrt.exe
- last_energy.exe
- localisation.exe
- loprop.exe
- mbpt2.exe
- mckinley.exe
- mclr.exe
- mcpdft.exe
- motra.exe
- mpprop.exe
- mrci.exe
- mula.exe
- numerical_gradient.exe
- parnell.exe
- poly_aniso.exe
- qmstat.exe
- quater.exe
- rasscf.exe
- rassi.exe
- rpa.exe
- scf.exe
- seward.exe
- single_aniso.exe
- slapaf.exe
- surfacehop.exe
- vibrot.exe
- data/
- MolGUI.prgm
- abdata
- alaska.prgm
- averd.prgm
- banner.txt
- caspt2.prgm
- casvb.prgm
- ccsdt.prgm
- chcc.prgm
- check.prgm
- cht3.prgm
- cpf.prgm
- dmrgscf.prgm
- dynamix.prgm
- espf.prgm
- expbas.prgm
- extf.prgm
- false.prgm
- ffpt.prgm
- gateway.prgm
- genano.prgm
- global.prgm
- grid_it.prgm
- guessorb.prgm
- guga.prgm
- gugaci.prgm
- gugadrt.prgm
- info.txt
- inporb_files.prgm
- inputs.tpl
- landing.txt
- last_energy.prgm
- localisation.prgm
- loprop.prgm
- mbpt2.prgm
- mckinley.prgm
- mclr.prgm
- mcpdft.prgm
- modalias.txt
- motra.prgm
- mpprop.prgm
- mpssi.prgm
- mrci.prgm
- mula.prgm
- nevpt2.prgm
- numerical_gradient.prgm
- poly_aniso.prgm
- qmstat.prgm
- quater.prgm
- rasscf.prgm
- rassi.prgm
- rcodes.txt
- rpa.prgm
- rysrw
- scf.prgm
- seward.prgm
- single_aniso.prgm
- slapaf.prgm
- surfacehop.prgm
- symmetrize.prgm
- vibrot.prgm
- wfa.prgm
- doc/
- lib/
- libalaska.so
- libaverd.so
- libcaspt2.so
- libcasvb.so
- libccsdt.so
- libchcc.so
- libcht3.so
- libcpf.so
- libdynamix.so
- libexpbas.so
- libextf.so
- libfalse.so
- libffpt.so
- libgateway.so
- libgenano.so
- libgrid_it.so
- libguessorb.so
- libguga.so
- libgugaci.so
- libgugadrt.so
- liblast_energy.so
- liblocalisation.so
- libloprop.so
- libmbpt2.so
- libmckinley.so
- libmclr.so
- libmcpdft.so
- libmolcas.so
- libmotra.so
- libmpprop.so
- libmrci.so
- libmula.so
- libnumerical_gradient.so
- libpoly_aniso.so
- libqmstat.so
- libquater.so
- librasscf.so
- librassi.so
- librpa.so
- libscf.so
- libseward.so
- libsingle_aniso.so
- libslapaf.so
- libsurfacehop.so
- libvibrot.so
- molcas.rte
- pymolcas
- python/
- abstract_flow.py
- check_test.py
- emil_grammar.py
- emil_parse.py
- export.py
- imports.py
- molcas_aux.py
- molcas_wrapper.py
- pack.py
- python_parse.py
- simpleeval.py
- tee.py
- validate.py
- sbin/
- help_basis
- help_doc
- setup
- version
- OpenMolcas/
- share/
- doc/
- OpenMolcas/
- CONTRIBUTORS.md
- OpenMolcas/
- licenses/
- OpenMolcas/
- LICENSE
- OpenMolcas/
- doc/
- bin/
Sources on Pagure