OpenMolcas-23.10-1.fc39 RPM for s390x

From Fedora 39 updates for s390x / Packages / o

OpenMolcas is a quantum chemistry software package developed by
scientists and intended to be used by scientists. It includes programs
to apply many different electronic structure methods to chemical
systems, but its key feature is the multiconfigurational approach,
with methods like CASSCF and CASPT2.

OpenMolcas is not a fork or reimplementation of Molcas, it is a large
part of the Molcas codebase that has been released as free and
open-source software (FOSS) under the Lesser GNU Public License
(LGPL). Some parts of Molcas remain under a different license by
decision of their authors (or impossibility to reach them), and are
therefore not included in OpenMolcas.

Provides

• OpenMolcas
• OpenMolcas(s390-64)
• 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)
• liblevel.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)
• librhodyn.so()(64bit)
• librpa.so()(64bit)
• libscf.so()(64bit)
• libseward.so()(64bit)
• libsingle_aniso.so()(64bit)
• libslapaf.so()(64bit)
• libsurfacehop.so()(64bit)
• libvibrot.so()(64bit)

Requires

• /usr/bin/bash
• /usr/bin/python3
• CheMPS2
• libalaska.so()(64bit)
• libaverd.so()(64bit)
• libc.so.6()(64bit)
• libc.so.6(GLIBC_2.2)(64bit)
• libc.so.6(GLIBC_2.3)(64bit)
• libc.so.6(GLIBC_2.3.3)(64bit)
• libc.so.6(GLIBC_2.3.4)(64bit)
• libc.so.6(GLIBC_2.33)(64bit)
• libc.so.6(GLIBC_2.34)(64bit)
• libc.so.6(GLIBC_2.4)(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)
• libflexiblas64.so.3()(64bit)
• libgateway.so()(64bit)
• libgcc_s.so.1()(64bit)
• libgcc_s.so.1(GCC_4.0.0)(64bit)
• libgenano.so()(64bit)
• libgfortran.so.5()(64bit)
• libgfortran.so.5(GFORTRAN_10)(64bit)
• libgfortran.so.5(GFORTRAN_8)(64bit)
• libgomp.so.1()(64bit)
• libgomp.so.1(OMP_1.0)(64bit)
• libgomp.so.1(OMP_3.0)(64bit)
• libgrid_it.so()(64bit)
• libguessorb.so()(64bit)
• libguga.so()(64bit)
• libgugaci.so()(64bit)
• libgugadrt.so()(64bit)
• libhdf5.so.200()(64bit)
• liblast_energy.so()(64bit)
• liblevel.so()(64bit)
• liblocalisation.so()(64bit)
• libloprop.so()(64bit)
• libm.so.6()(64bit)
• libm.so.6(GLIBC_2.2)(64bit)
• libm.so.6(GLIBC_2.29)(64bit)
• libm.so.6(GLIBC_2.38)(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)
• librhodyn.so()(64bit)
• librpa.so()(64bit)
• libscf.so()(64bit)
• libseward.so()(64bit)
• libsingle_aniso.so()(64bit)
• libslapaf.so()(64bit)
• libsurfacehop.so()(64bit)
• libvibrot.so()(64bit)
• libxcf03.so.12()(64bit)
• python3-pyparsing
• python3-setuptools
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1
• rtld(GNU_HASH)

License

LGPLv2

Changelog

* Mon Oct 16 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 23.10-1
  - Update to release 23.10.
* Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 23.06-2
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Thu Jun 15 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 23.06-1
  - Update to release 23.06.
* Wed Mar 15 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 23.02-1
  - Update to release 23.02.
* Wed Jan 18 2023 Fedora Release Engineering <releng@fedoraproject.org> - 22.10-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
* Tue Oct 25 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 22.10-2
  - Bump for libxc rebuild.
* Sat Oct 15 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 22.10-1
  - Update to release 22.10.
* Wed Jul 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 22.06-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
* Tue Jul 19 2022 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 22.06-2
  - Rebuilt for pyparsing-3.0.9
* Wed Jun 15 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 22.06-1
  - Update to release 22.06.
* Tue Feb 15 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 22.02-1
  - Update to release 22.02, including libxc support.
  - Also enabled HDF5 and CheMPS2 support.
* Wed Jan 19 2022 Fedora Release Engineering <releng@fedoraproject.org> - 21.10-2
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild
* Fri Nov 26 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 21.10-1
  - Update to release 21.10.

Files

/etc/profile.d/OpenMolcas.csh
/etc/profile.d/OpenMolcas.sh
/usr/bin/pymolcas
/usr/lib/.build-id
/usr/lib/.build-id/05
/usr/lib/.build-id/05/e9e14955147fc19fc7ddef001e4111a2f25159
/usr/lib/.build-id/06
/usr/lib/.build-id/06/dce1169b26a284c688fdc3e0c413624b3ab9ec
/usr/lib/.build-id/07
/usr/lib/.build-id/07/7a734c4043c1b64abc3ba947bcba8b0134ad93
/usr/lib/.build-id/0b
/usr/lib/.build-id/0b/78077bb66163e2de00d5c19fdb60c525c39bf0
/usr/lib/.build-id/0c
/usr/lib/.build-id/0c/ae2d3f605b3007b97cc42a605ca72bb3c80e0b
/usr/lib/.build-id/0e
/usr/lib/.build-id/0e/5d5524a9bfaeacae3275d224a29bd5c1b662ab
/usr/lib/.build-id/10
/usr/lib/.build-id/10/afa03ce952ba7340a2f31e371f9618a5712eaf
/usr/lib/.build-id/11
/usr/lib/.build-id/11/77125f196e0f428b262fa12f58a13ea125381d
/usr/lib/.build-id/11/e62e2872002c44df2862b79b3f8e1553679984
/usr/lib/.build-id/15
/usr/lib/.build-id/15/c08b43dbf7c508ac1d393c9357fa3add6ceabf
/usr/lib/.build-id/18
/usr/lib/.build-id/18/714d4cf644b3467213c4b419f70bab02c5f893
/usr/lib/.build-id/19
/usr/lib/.build-id/19/2a1baab5fa7c6c98a128c98047b4e6cb701b79
/usr/lib/.build-id/21
/usr/lib/.build-id/21/3b439b8a72acef0d645ab0e820dedb3154039e
/usr/lib/.build-id/27
/usr/lib/.build-id/27/5274b0974472d22070ece1974ee14f2b71c25c
/usr/lib/.build-id/29
/usr/lib/.build-id/29/7e3cd39320cab1cfe105e3914b087fef89e823
/usr/lib/.build-id/29/bb788bc868ce66a3fa48e2f89bcffd39ff6bad
/usr/lib/.build-id/2e
/usr/lib/.build-id/2e/a38f497d12a2fcb6d9c86ce376491b4b673a5d
/usr/lib/.build-id/30
/usr/lib/.build-id/30/131708da6aeaf609ac416aa5d2849602f7841e
/usr/lib/.build-id/30/ea6f46fa3e3ccd4a14e3952fa16091c7994f5e
/usr/lib/.build-id/36
/usr/lib/.build-id/36/eb1154ec34f2f30a273e607f6fd6acd831285d
/usr/lib/.build-id/37
/usr/lib/.build-id/37/49f0056906d90e97d502a827ff96b35d41686e
/usr/lib/.build-id/38
/usr/lib/.build-id/38/25157f4e7423bb2e3a84266e8ec328c559898a
/usr/lib/.build-id/39
/usr/lib/.build-id/39/6d91467ca3615517b02b7babc449a4e079b3db
/usr/lib/.build-id/3d
/usr/lib/.build-id/3d/6e0b8d05c39b7bad1675b5cccdb3788105947b
/usr/lib/.build-id/3e
/usr/lib/.build-id/3e/243fef9eb30b71984c00c93244384144811e38
/usr/lib/.build-id/42
/usr/lib/.build-id/42/0a09daaf8f76d411c6044ac3e6b7e8b236bb2c
/usr/lib/.build-id/42/e11d7fed7aa3f0cca38b7a686b25aa0cf038f8
/usr/lib/.build-id/46
/usr/lib/.build-id/46/14dc2cea582b7a4a3b75c1532dcd5855974a5e
/usr/lib/.build-id/46/568e76cefc82d14018905629b6b15d208e0466
/usr/lib/.build-id/47
/usr/lib/.build-id/47/6163d023a41f24f95b554cb0714541de142df4
/usr/lib/.build-id/4c
/usr/lib/.build-id/4c/90abe702f77a42b24fd722a798e7b90fd20235
/usr/lib/.build-id/4c/fb87dbd5bc1b8e7a3df5f492483f372fb0cdb3
/usr/lib/.build-id/4d
/usr/lib/.build-id/4d/256102790322ed4831c2e0fbb024dc945df89b
/usr/lib/.build-id/4d/a9aaa46c760e3204332e81ae5dc917df418ea7
/usr/lib/.build-id/4e
/usr/lib/.build-id/4e/a6a9273c4dd750de76a286b9afb6eac798d9ba
/usr/lib/.build-id/51
/usr/lib/.build-id/51/ca1184ee19477dc3c02de6d873c53cf81010a4
/usr/lib/.build-id/52
/usr/lib/.build-id/52/8fcab25d1c4f4a23db16c95cd1e209dbc075c9
/usr/lib/.build-id/53
/usr/lib/.build-id/53/b242237a167287c0cdc770b54da208bb7a6cb3
/usr/lib/.build-id/54
/usr/lib/.build-id/54/3b91bb2e015626ffbaf28194b286a93960115e
/usr/lib/.build-id/58
/usr/lib/.build-id/58/2fae5e89fb0de0dcffa9a65e45fe9f9169cf8b
/usr/lib/.build-id/59
/usr/lib/.build-id/59/3d5e1220224ca427ccee45fec7d06eba26ad17
/usr/lib/.build-id/59/51aaf374df045f900bc455e972b01640433009
/usr/lib/.build-id/60
/usr/lib/.build-id/60/d8e76adc37a67418e52a34fd9c025bf887f281
/usr/lib/.build-id/61
/usr/lib/.build-id/61/8019298127bf3eabb9dddc43b24560e0d5d1bf
/usr/lib/.build-id/68
/usr/lib/.build-id/68/ef449ead5f8664b5221387601c5d3ba59a745b
/usr/lib/.build-id/6a
/usr/lib/.build-id/6a/dc6c778bf43671b94ba6daf1eefd30be31ed33
/usr/lib/.build-id/6e
/usr/lib/.build-id/6e/d0b670111d2a1a4f6229f1e5be449e34ed6b33
/usr/lib/.build-id/70
/usr/lib/.build-id/70/a1631bad07065b96333b9dad7ef390e4fa5d9c
/usr/lib/.build-id/71
/usr/lib/.build-id/71/e1f06e08f3cdb196683df940da3ff6762a13b5
/usr/lib/.build-id/74
/usr/lib/.build-id/74/5fd5e242c81ee1ccff5dda55edcdd2a8e83c03
/usr/lib/.build-id/75
/usr/lib/.build-id/75/28839085990627b058a2d8a5aee9a93dd846e0
/usr/lib/.build-id/79
/usr/lib/.build-id/79/b9d55fbcfa8fb691ffc801c48dcaf50ca6d4b4
/usr/lib/.build-id/7b
/usr/lib/.build-id/7b/685e22ac1b8aa088760fe563759a895db90c62
/usr/lib/.build-id/91
/usr/lib/.build-id/91/6ca2b6d06803499c7765b820ffab2c4e4ae5e7
/usr/lib/.build-id/95
/usr/lib/.build-id/95/04a7326a9273415b3e0bd9623266e4a2a54013
/usr/lib/.build-id/95/f3c3d59a100cf7db14a27287e71669c5c4cd57
/usr/lib/.build-id/9a
/usr/lib/.build-id/9a/8a12f29c8fcbeb1308f8d13ed55cb761d2eba1
/usr/lib/.build-id/a8
/usr/lib/.build-id/a8/281dcbfbef7463b975290770020b38529bdf10
/usr/lib/.build-id/ab
/usr/lib/.build-id/ab/43df67f08e7c513c041958d518aff85cf908a0
/usr/lib/.build-id/ac
/usr/lib/.build-id/ac/adb5da66c99a6a36b5f6b632ef39c49aad1681
/usr/lib/.build-id/b0
/usr/lib/.build-id/b0/1d96ab4122374a4c2ab77e852f508e9f1358e2
/usr/lib/.build-id/b4
/usr/lib/.build-id/b4/b24cca3d1485be207eadc90cb4f4757176f7f6
/usr/lib/.build-id/b6
/usr/lib/.build-id/b6/2039a447a4e3359772de21b33a9b3457e33d2a
/usr/lib/.build-id/b7
/usr/lib/.build-id/b7/d6e2cd425a4570007ddbad10aea042e60a0eb7
/usr/lib/.build-id/b8
/usr/lib/.build-id/b8/7743ec45f90d08f2451e068007e7a7e24bc8a0
/usr/lib/.build-id/bb
/usr/lib/.build-id/bb/12f58344494921480a2077a9b41bbd6f85ef61
/usr/lib/.build-id/bb/40cf3587fe1f1d8f98e991aee04b60c3539626
/usr/lib/.build-id/bc
/usr/lib/.build-id/bc/5a52654a07577b59c41c9ad6bf5023fcbd997b
/usr/lib/.build-id/bc/7dfe0c99f6db7a0aa05fc5e08e02f99d219c28
/usr/lib/.build-id/bd
/usr/lib/.build-id/bd/803b3ef4215d7a3335eb792efbb9548ae32490
/usr/lib/.build-id/be
/usr/lib/.build-id/be/73e3e753f6ee7bce1ada016711f43a2d27790c
/usr/lib/.build-id/c5
/usr/lib/.build-id/c5/38f143ab684e8a93e5f6ee031eb88319495c21
/usr/lib/.build-id/ca
/usr/lib/.build-id/ca/0172450d181520dc9bd1553f738de91672a9b7
/usr/lib/.build-id/ca/a7e487d60748f912285115a85a46067f4d403a
/usr/lib/.build-id/cb
/usr/lib/.build-id/cb/4eb15df379ce917bc3fb590cb7b38113851777
/usr/lib/.build-id/cd
/usr/lib/.build-id/cd/85beea339ede16a5859c2c9921c295a7b8a37f
/usr/lib/.build-id/cf
/usr/lib/.build-id/cf/0d556beb4000399dcfc3cd1f6bcabd79912c92
/usr/lib/.build-id/d0
/usr/lib/.build-id/d0/97894a34350b72e48f14f6f504f5120f2d5ce2
/usr/lib/.build-id/d4
/usr/lib/.build-id/d4/6c7ea76600f1c07f49f87e025e46a4e3447aba
/usr/lib/.build-id/d4/c9ace7bc7937e6d47bab6c2bcc94886d7f6307
/usr/lib/.build-id/d9
/usr/lib/.build-id/d9/3e61c5362096af7025577e6e76429ea35bc86e
/usr/lib/.build-id/d9/9d3c091a7b2b9cf6ea59b4e4f751e078595fe5
/usr/lib/.build-id/da
/usr/lib/.build-id/da/71ba8bd4fdacc004c30433243621e84769199b
/usr/lib/.build-id/dd
/usr/lib/.build-id/dd/c0237a9002a0674106e7cc9c541e3b763d3e3c
/usr/lib/.build-id/e4
/usr/lib/.build-id/e4/3508a65169d351115eb3b5dea208294ae5f35a
/usr/lib/.build-id/e8
/usr/lib/.build-id/e8/d4af375c3c26b2b13b279155b960e8f67ca16a
/usr/lib/.build-id/e8/e20300578601de33dd07975ebdfbe88573087e
/usr/lib/.build-id/ec
/usr/lib/.build-id/ec/3d91ce6841b9d906ef81de21de1d55c37b98be
/usr/lib/.build-id/ec/99bc86319310ebfe384211f26c3cfb6637311a
/usr/lib/.build-id/f0
/usr/lib/.build-id/f0/726b876dd374d8190e98fd5d7f8f76f0a61669
/usr/lib/.build-id/f3
/usr/lib/.build-id/f3/48526573faca9a2a8b35bb8fc07aa783aaa28c
/usr/lib/.build-id/f5
/usr/lib/.build-id/f5/eec9c27e342ef9e3ab3846028b6ed5be329c57
/usr/lib/.build-id/f7
/usr/lib/.build-id/f7/275669e34e104ded94d987a12f7d03f403c817
/usr/lib/.build-id/f7/78657d6812bbb569592fda53e86b34ddef56f6
/usr/lib/.build-id/fd
/usr/lib/.build-id/fd/e6dc36470eb340b78ffbcf436e9d190c3279c1
/usr/lib64/OpenMolcas
/usr/lib64/OpenMolcas/.molcashome
/usr/lib64/OpenMolcas/.molcasversion
/usr/lib64/OpenMolcas/CONTRIBUTORS.md
/usr/lib64/OpenMolcas/LICENSE
/usr/lib64/OpenMolcas/basis_library
/usr/lib64/OpenMolcas/basis_library/3-21G
/usr/lib64/OpenMolcas/basis_library/4-31G
/usr/lib64/OpenMolcas/basis_library/5-21G
/usr/lib64/OpenMolcas/basis_library/6-311Gpp
/usr/lib64/OpenMolcas/basis_library/6-31G
/usr/lib64/OpenMolcas/basis_library/6-31Gpp
/usr/lib64/OpenMolcas/basis_library/AHLRICHS_VDZ
/usr/lib64/OpenMolcas/basis_library/AHLRICHS_VTZ
/usr/lib64/OpenMolcas/basis_library/AIMP.README
/usr/lib64/OpenMolcas/basis_library/ANO-DK3
/usr/lib64/OpenMolcas/basis_library/ANO-L
/usr/lib64/OpenMolcas/basis_library/ANO-ORCA
/usr/lib64/OpenMolcas/basis_library/ANO-R
/usr/lib64/OpenMolcas/basis_library/ANO-RCC
/usr/lib64/OpenMolcas/basis_library/ANO-RCC.README
/usr/lib64/OpenMolcas/basis_library/ANO-S
/usr/lib64/OpenMolcas/basis_library/ANO-XS
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PV5Z
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PV6Z
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PVDZ
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PVQZ
/usr/lib64/OpenMolcas/basis_library/AUG-CC-PVTZ
/usr/lib64/OpenMolcas/basis_library/AUG-PC-0
/usr/lib64/OpenMolcas/basis_library/AUG-PC-1
/usr/lib64/OpenMolcas/basis_library/AUG-PC-2
/usr/lib64/OpenMolcas/basis_library/AUG-PC-3
/usr/lib64/OpenMolcas/basis_library/AUG-PC-4
/usr/lib64/OpenMolcas/basis_library/CC-PV5Z
/usr/lib64/OpenMolcas/basis_library/CC-PV5Z-DK
/usr/lib64/OpenMolcas/basis_library/CC-PVDZ
/usr/lib64/OpenMolcas/basis_library/CC-PVDZ-DK
/usr/lib64/OpenMolcas/basis_library/CC-PVQZ
/usr/lib64/OpenMolcas/basis_library/CC-PVQZ-DK
/usr/lib64/OpenMolcas/basis_library/CC-PVTZ
/usr/lib64/OpenMolcas/basis_library/CC-PVTZ-DK
/usr/lib64/OpenMolcas/basis_library/CC-PWCV5Z-DK
/usr/lib64/OpenMolcas/basis_library/CC-PWCVQZ-DK
/usr/lib64/OpenMolcas/basis_library/CC-PWCVTZ-DK
/usr/lib64/OpenMolcas/basis_library/CG-AIMP
/usr/lib64/OpenMolcas/basis_library/DEF-SV-P
/usr/lib64/OpenMolcas/basis_library/DEF-SVP
/usr/lib64/OpenMolcas/basis_library/DEF-TZVP
/usr/lib64/OpenMolcas/basis_library/DEF2-SVP
/usr/lib64/OpenMolcas/basis_library/DEF2-TZVP
/usr/lib64/OpenMolcas/basis_library/DEF2-TZVPP
/usr/lib64/OpenMolcas/basis_library/EMB-AIMP
/usr/lib64/OpenMolcas/basis_library/JGAUSS-DZP
/usr/lib64/OpenMolcas/basis_library/LANL2DZ
/usr/lib64/OpenMolcas/basis_library/LANL2DZ_NL
/usr/lib64/OpenMolcas/basis_library/MCP-AQZP
/usr/lib64/OpenMolcas/basis_library/MCP-ATZP
/usr/lib64/OpenMolcas/basis_library/MCP-DZP
/usr/lib64/OpenMolcas/basis_library/MCP-QZP
/usr/lib64/OpenMolcas/basis_library/MCP-TZP
/usr/lib64/OpenMolcas/basis_library/MUONIC
/usr/lib64/OpenMolcas/basis_library/NP-AIMP
/usr/lib64/OpenMolcas/basis_library/NR-AIMP
/usr/lib64/OpenMolcas/basis_library/PC-0
/usr/lib64/OpenMolcas/basis_library/PC-1
/usr/lib64/OpenMolcas/basis_library/PC-2
/usr/lib64/OpenMolcas/basis_library/PC-3
/usr/lib64/OpenMolcas/basis_library/PC-4
/usr/lib64/OpenMolcas/basis_library/QRPLIB
/usr/lib64/OpenMolcas/basis_library/RAF-R
/usr/lib64/OpenMolcas/basis_library/RYDBERG
/usr/lib64/OpenMolcas/basis_library/SADLEJ_PVTZ
/usr/lib64/OpenMolcas/basis_library/SARC2-QZVP-DKH2
/usr/lib64/OpenMolcas/basis_library/STO-3G
/usr/lib64/OpenMolcas/basis_library/STUTTGART
/usr/lib64/OpenMolcas/basis_library/STUTTGART_NL
/usr/lib64/OpenMolcas/basis_library/basis.tbl
/usr/lib64/OpenMolcas/basis_library/basistype.tbl
/usr/lib64/OpenMolcas/basis_library/c_Basis
/usr/lib64/OpenMolcas/basis_library/c_Basis/DEF-SV-P
/usr/lib64/OpenMolcas/basis_library/c_Basis/DEF-SVP
/usr/lib64/OpenMolcas/basis_library/c_Basis/DEF-TZVP
/usr/lib64/OpenMolcas/basis_library/c_Basis/basis.tbl
/usr/lib64/OpenMolcas/basis_library/c_Basis/basistype.tbl
/usr/lib64/OpenMolcas/basis_library/c_Basis/trans.tbl
/usr/lib64/OpenMolcas/basis_library/j_Basis
/usr/lib64/OpenMolcas/basis_library/j_Basis/DEF-SV-P
/usr/lib64/OpenMolcas/basis_library/j_Basis/DEF-SVP
/usr/lib64/OpenMolcas/basis_library/j_Basis/DEF-TZVP
/usr/lib64/OpenMolcas/basis_library/j_Basis/basis.tbl
/usr/lib64/OpenMolcas/basis_library/j_Basis/basistype.tbl
/usr/lib64/OpenMolcas/basis_library/j_Basis/trans.tbl
/usr/lib64/OpenMolcas/basis_library/jk_Basis
/usr/lib64/OpenMolcas/basis_library/jk_Basis/CC-PVTZ
/usr/lib64/OpenMolcas/basis_library/jk_Basis/DEF-SV-P
/usr/lib64/OpenMolcas/basis_library/jk_Basis/DEF-SVP
/usr/lib64/OpenMolcas/basis_library/jk_Basis/basis.tbl
/usr/lib64/OpenMolcas/basis_library/jk_Basis/basistype.tbl
/usr/lib64/OpenMolcas/basis_library/jk_Basis/trans.tbl
/usr/lib64/OpenMolcas/basis_library/trans.tbl
/usr/lib64/OpenMolcas/bin
/usr/lib64/OpenMolcas/bin/alaska.exe
/usr/lib64/OpenMolcas/bin/averd.exe
/usr/lib64/OpenMolcas/bin/caspt2.exe
/usr/lib64/OpenMolcas/bin/casvb.exe
/usr/lib64/OpenMolcas/bin/ccsdt.exe
/usr/lib64/OpenMolcas/bin/chcc.exe
/usr/lib64/OpenMolcas/bin/cht3.exe
/usr/lib64/OpenMolcas/bin/cpf.exe
/usr/lib64/OpenMolcas/bin/dynamix.exe
/usr/lib64/OpenMolcas/bin/espf.exe
/usr/lib64/OpenMolcas/bin/expbas.exe
/usr/lib64/OpenMolcas/bin/extf.exe
/usr/lib64/OpenMolcas/bin/false.exe
/usr/lib64/OpenMolcas/bin/ffpt.exe
/usr/lib64/OpenMolcas/bin/gateway.exe
/usr/lib64/OpenMolcas/bin/genano.exe
/usr/lib64/OpenMolcas/bin/grid_it.exe
/usr/lib64/OpenMolcas/bin/guessorb.exe
/usr/lib64/OpenMolcas/bin/guga.exe
/usr/lib64/OpenMolcas/bin/gugaci.exe
/usr/lib64/OpenMolcas/bin/gugadrt.exe
/usr/lib64/OpenMolcas/bin/last_energy.exe
/usr/lib64/OpenMolcas/bin/level.exe
/usr/lib64/OpenMolcas/bin/localisation.exe
/usr/lib64/OpenMolcas/bin/loprop.exe
/usr/lib64/OpenMolcas/bin/mbpt2.exe
/usr/lib64/OpenMolcas/bin/mckinley.exe
/usr/lib64/OpenMolcas/bin/mclr.exe
/usr/lib64/OpenMolcas/bin/mcpdft.exe
/usr/lib64/OpenMolcas/bin/motra.exe
/usr/lib64/OpenMolcas/bin/mpprop.exe
/usr/lib64/OpenMolcas/bin/mrci.exe
/usr/lib64/OpenMolcas/bin/mula.exe
/usr/lib64/OpenMolcas/bin/numerical_gradient.exe
/usr/lib64/OpenMolcas/bin/parnell.exe
/usr/lib64/OpenMolcas/bin/poly_aniso.exe
/usr/lib64/OpenMolcas/bin/qmstat.exe
/usr/lib64/OpenMolcas/bin/quater.exe
/usr/lib64/OpenMolcas/bin/rasscf.exe
/usr/lib64/OpenMolcas/bin/rassi.exe
/usr/lib64/OpenMolcas/bin/rhodyn.exe
/usr/lib64/OpenMolcas/bin/rpa.exe
/usr/lib64/OpenMolcas/bin/scf.exe
/usr/lib64/OpenMolcas/bin/seward.exe
/usr/lib64/OpenMolcas/bin/single_aniso.exe
/usr/lib64/OpenMolcas/bin/slapaf.exe
/usr/lib64/OpenMolcas/bin/surfacehop.exe
/usr/lib64/OpenMolcas/bin/vibrot.exe
/usr/lib64/OpenMolcas/data
/usr/lib64/OpenMolcas/data/MolGUI.prgm
/usr/lib64/OpenMolcas/data/abdata
/usr/lib64/OpenMolcas/data/alaska.prgm
/usr/lib64/OpenMolcas/data/averd.prgm
/usr/lib64/OpenMolcas/data/banner.txt
/usr/lib64/OpenMolcas/data/caspt2.prgm
/usr/lib64/OpenMolcas/data/casvb.prgm
/usr/lib64/OpenMolcas/data/ccsdt.prgm
/usr/lib64/OpenMolcas/data/chcc.prgm
/usr/lib64/OpenMolcas/data/check.prgm
/usr/lib64/OpenMolcas/data/cht3.prgm
/usr/lib64/OpenMolcas/data/cpf.prgm
/usr/lib64/OpenMolcas/data/dmrgscf.prgm
/usr/lib64/OpenMolcas/data/dynamix.prgm
/usr/lib64/OpenMolcas/data/espf.prgm
/usr/lib64/OpenMolcas/data/expbas.prgm
/usr/lib64/OpenMolcas/data/extf.prgm
/usr/lib64/OpenMolcas/data/false.prgm
/usr/lib64/OpenMolcas/data/ffpt.prgm
/usr/lib64/OpenMolcas/data/functionals.txt
/usr/lib64/OpenMolcas/data/gateway.prgm
/usr/lib64/OpenMolcas/data/genano.prgm
/usr/lib64/OpenMolcas/data/global.prgm
/usr/lib64/OpenMolcas/data/grid_it.prgm
/usr/lib64/OpenMolcas/data/guessorb.prgm
/usr/lib64/OpenMolcas/data/guga.prgm
/usr/lib64/OpenMolcas/data/gugaci.prgm
/usr/lib64/OpenMolcas/data/gugadrt.prgm
/usr/lib64/OpenMolcas/data/info.txt
/usr/lib64/OpenMolcas/data/inporb_files.prgm
/usr/lib64/OpenMolcas/data/inputs.tpl
/usr/lib64/OpenMolcas/data/isotope_data.txt
/usr/lib64/OpenMolcas/data/keyword.db
/usr/lib64/OpenMolcas/data/keyword.xml
/usr/lib64/OpenMolcas/data/landing.txt
/usr/lib64/OpenMolcas/data/last_energy.prgm
/usr/lib64/OpenMolcas/data/level.prgm
/usr/lib64/OpenMolcas/data/localisation.prgm
/usr/lib64/OpenMolcas/data/loprop.prgm
/usr/lib64/OpenMolcas/data/mbpt2.prgm
/usr/lib64/OpenMolcas/data/mckinley.prgm
/usr/lib64/OpenMolcas/data/mclr.prgm
/usr/lib64/OpenMolcas/data/mcpdft.prgm
/usr/lib64/OpenMolcas/data/modalias.txt
/usr/lib64/OpenMolcas/data/motra.prgm
/usr/lib64/OpenMolcas/data/mpprop.prgm
/usr/lib64/OpenMolcas/data/mpssi.prgm
/usr/lib64/OpenMolcas/data/mrci.prgm
/usr/lib64/OpenMolcas/data/mula.prgm
/usr/lib64/OpenMolcas/data/nevpt2.prgm
/usr/lib64/OpenMolcas/data/numerical_gradient.prgm
/usr/lib64/OpenMolcas/data/poly_aniso.prgm
/usr/lib64/OpenMolcas/data/qmstat.prgm
/usr/lib64/OpenMolcas/data/quater.prgm
/usr/lib64/OpenMolcas/data/rasscf.prgm
/usr/lib64/OpenMolcas/data/rassi.prgm
/usr/lib64/OpenMolcas/data/rcodes.txt
/usr/lib64/OpenMolcas/data/rhodyn.prgm
/usr/lib64/OpenMolcas/data/rpa.prgm
/usr/lib64/OpenMolcas/data/rysrw
/usr/lib64/OpenMolcas/data/scf.prgm
/usr/lib64/OpenMolcas/data/seward.prgm
/usr/lib64/OpenMolcas/data/single_aniso.prgm
/usr/lib64/OpenMolcas/data/slapaf.prgm
/usr/lib64/OpenMolcas/data/surfacehop.prgm
/usr/lib64/OpenMolcas/data/symmetrize.prgm
/usr/lib64/OpenMolcas/data/vibrot.prgm
/usr/lib64/OpenMolcas/data/wfa.prgm
/usr/lib64/OpenMolcas/doc
/usr/lib64/OpenMolcas/lib
/usr/lib64/OpenMolcas/lib/libalaska.so
/usr/lib64/OpenMolcas/lib/libaverd.so
/usr/lib64/OpenMolcas/lib/libcaspt2.so
/usr/lib64/OpenMolcas/lib/libcasvb.so
/usr/lib64/OpenMolcas/lib/libccsdt.so
/usr/lib64/OpenMolcas/lib/libchcc.so
/usr/lib64/OpenMolcas/lib/libcht3.so
/usr/lib64/OpenMolcas/lib/libcpf.so
/usr/lib64/OpenMolcas/lib/libdynamix.so
/usr/lib64/OpenMolcas/lib/libexpbas.so
/usr/lib64/OpenMolcas/lib/libextf.so
/usr/lib64/OpenMolcas/lib/libfalse.so
/usr/lib64/OpenMolcas/lib/libffpt.so
/usr/lib64/OpenMolcas/lib/libgateway.so
/usr/lib64/OpenMolcas/lib/libgenano.so
/usr/lib64/OpenMolcas/lib/libgrid_it.so
/usr/lib64/OpenMolcas/lib/libguessorb.so
/usr/lib64/OpenMolcas/lib/libguga.so
/usr/lib64/OpenMolcas/lib/libgugaci.so
/usr/lib64/OpenMolcas/lib/libgugadrt.so
/usr/lib64/OpenMolcas/lib/liblast_energy.so
/usr/lib64/OpenMolcas/lib/liblevel.so
/usr/lib64/OpenMolcas/lib/liblocalisation.so
/usr/lib64/OpenMolcas/lib/libloprop.so
/usr/lib64/OpenMolcas/lib/libmbpt2.so
/usr/lib64/OpenMolcas/lib/libmckinley.so
/usr/lib64/OpenMolcas/lib/libmclr.so
/usr/lib64/OpenMolcas/lib/libmcpdft.so
/usr/lib64/OpenMolcas/lib/libmolcas.so
/usr/lib64/OpenMolcas/lib/libmotra.so
/usr/lib64/OpenMolcas/lib/libmpprop.so
/usr/lib64/OpenMolcas/lib/libmrci.so
/usr/lib64/OpenMolcas/lib/libmula.so
/usr/lib64/OpenMolcas/lib/libnumerical_gradient.so
/usr/lib64/OpenMolcas/lib/libpoly_aniso.so
/usr/lib64/OpenMolcas/lib/libqmstat.so
/usr/lib64/OpenMolcas/lib/libquater.so
/usr/lib64/OpenMolcas/lib/librasscf.so
/usr/lib64/OpenMolcas/lib/librassi.so
/usr/lib64/OpenMolcas/lib/librhodyn.so
/usr/lib64/OpenMolcas/lib/librpa.so
/usr/lib64/OpenMolcas/lib/libscf.so
/usr/lib64/OpenMolcas/lib/libseward.so
/usr/lib64/OpenMolcas/lib/libsingle_aniso.so
/usr/lib64/OpenMolcas/lib/libslapaf.so
/usr/lib64/OpenMolcas/lib/libsurfacehop.so
/usr/lib64/OpenMolcas/lib/libvibrot.so
/usr/lib64/OpenMolcas/molcas.rte
/usr/lib64/OpenMolcas/pymolcas
/usr/lib64/OpenMolcas/python
/usr/lib64/OpenMolcas/python/abstract_flow.py
/usr/lib64/OpenMolcas/python/check_test.py
/usr/lib64/OpenMolcas/python/emil_grammar.py
/usr/lib64/OpenMolcas/python/emil_parse.py
/usr/lib64/OpenMolcas/python/export.py
/usr/lib64/OpenMolcas/python/imports.py
/usr/lib64/OpenMolcas/python/molcas_aux.py
/usr/lib64/OpenMolcas/python/molcas_wrapper.py
/usr/lib64/OpenMolcas/python/pack.py
/usr/lib64/OpenMolcas/python/python_parse.py
/usr/lib64/OpenMolcas/python/simpleeval.py
/usr/lib64/OpenMolcas/python/tee.py
/usr/lib64/OpenMolcas/python/validate.py
/usr/lib64/OpenMolcas/sbin
/usr/lib64/OpenMolcas/sbin/help_basis
/usr/lib64/OpenMolcas/sbin/help_doc
/usr/lib64/OpenMolcas/sbin/help_func
/usr/lib64/OpenMolcas/sbin/setup
/usr/lib64/OpenMolcas/sbin/version
/usr/share/doc/OpenMolcas
/usr/share/doc/OpenMolcas/CONTRIBUTORS.md
/usr/share/licenses/OpenMolcas
/usr/share/licenses/OpenMolcas/LICENSE

Generated by rpm2html 1.8.1

Fabrice Bellet, Thu Jun 5 04:55:12 2025