Debian 12 (Bookworm) native package

bagel

Computational Chemistry Package

Packages / Debian 12 (Bookworm) / science / bagel

Package: bagel (1.2.2-6)

Maintainers:

Debichem Team

External Resources:

Homepage: [www.nubakery.org]

Computational Chemistry Package

Other Packages Related to bagel:

dep: [libblas3]
Basic Linear Algebra Reference implementations, shared library
dep: libblas.so.3
Package not available
dep: [libboost-serialization1.74.0] (>= 1.74.0+ds1)
serialization library for C++
dep: [libc6] (>= 2.35)
GNU C Library: Shared libraries
dep: [libgcc-s1] (>= 4.0)
GCC support library
dep: [liblapack3]
Library of linear algebra routines 3 - shared version
dep: liblapack.so.3
Package not available
dep: [libmpich12] (>= 4.0.2-3+b1)
Shared libraries for MPICH
dep: [libstdc++6] (>= 11)
GNU Standard C++ Library v3
dep: [libxc9] (>= 5.0.0)
Library of Exchange-Correlation Functionals

Download bagel

Architecture	Package Size	Installed Size	Files
amd64	35 MiB	109 MiB	[list of files]

Package file paths (243)

Paths come from the repository package-file index for the observed builds. They describe archive/package associations, not every file that will exist on a running system after maintainer scripts, alternatives, generated state, diversions, or installation choices.

/usr/bin/BAGEL
/usr/share/bagel/3-21g.json
/usr/share/bagel/6-31g.json
/usr/share/bagel/ano-rcc.json
/usr/share/bagel/aug-cc-pcv5z.json
/usr/share/bagel/aug-cc-pcvdz-dk.json
/usr/share/bagel/aug-cc-pcvdz.json
/usr/share/bagel/aug-cc-pcvqz-dk.json
/usr/share/bagel/aug-cc-pcvqz.json
/usr/share/bagel/aug-cc-pcvtz-dk.json
/usr/share/bagel/aug-cc-pcvtz.json
/usr/share/bagel/aug-cc-pv5z.json
/usr/share/bagel/aug-cc-pv6z.json
/usr/share/bagel/aug-cc-pvdz.json
/usr/share/bagel/aug-cc-pvqz.json
/usr/share/bagel/aug-cc-pvtz.json
/usr/share/bagel/aug-cc-pwcv5z.json
/usr/share/bagel/aug-cc-pwcvdz.json
/usr/share/bagel/aug-cc-pwcvqz.json
/usr/share/bagel/aug-cc-pwcvtz.json
/usr/share/bagel/cc-pcv5z.json
/usr/share/bagel/cc-pcvdz.json
/usr/share/bagel/cc-pcvqz.json
/usr/share/bagel/cc-pcvtz.json
/usr/share/bagel/cc-pv5z-jkfit.json
/usr/share/bagel/cc-pv5z.json
/usr/share/bagel/cc-pv5z-ri.json
/usr/share/bagel/cc-pv6z.json
/usr/share/bagel/cc-pvdz-dk.json
/usr/share/bagel/cc-pvdz-jkfit.json
/usr/share/bagel/cc-pvdz.json
/usr/share/bagel/cc-pvdz-ri.json
/usr/share/bagel/cc-pvqz-jkfit.json
/usr/share/bagel/cc-pvqz.json
/usr/share/bagel/cc-pvqz-ri.json
/usr/share/bagel/cc-pvtz-dk.json
/usr/share/bagel/cc-pvtz-jkfit.json
/usr/share/bagel/cc-pvtz.json
/usr/share/bagel/cc-pvtz-ri.json
/usr/share/bagel/complete.json
/usr/share/bagel/d-aug-cc-pv5z.json
/usr/share/bagel/d-aug-cc-pvdz.json
/usr/share/bagel/d-aug-cc-pvqz.json
/usr/share/bagel/d-aug-cc-pvtz.json
/usr/share/bagel/def2-SVP-2c-ecp.json
/usr/share/bagel/def2-SVP-ecp.json
/usr/share/bagel/ecp10mdf.json
/usr/share/bagel/ecp28mdf.json
/usr/share/bagel/ecp46mdf.json
/usr/share/bagel/ecp60mdf.json
/usr/share/bagel/ecp78mdf.json
/usr/share/bagel/lanl2dz-ecp.json
/usr/share/bagel/qzvpp-jkfit.json
/usr/share/bagel/qzvpp.json
/usr/share/bagel/sto-3g.json
/usr/share/bagel/svp-jkfit.json
/usr/share/bagel/svp.json
/usr/share/bagel/tzvpp-jkfit.json
/usr/share/bagel/tzvpp.json
/usr/share/doc/bagel/changelog.Debian.gz
/usr/share/doc/bagel/copyright
/usr/share/doc/bagel/examples/benzene_sto3g_asd-ras_stack.json
/usr/share/doc/bagel/examples/benzene_sto3g_asd_stack.json
/usr/share/doc/bagel/examples/benzene_sto3g_asd_T.json
/usr/share/doc/bagel/examples/benzene_sto3g_pml.json
/usr/share/doc/bagel/examples/benzene_svp_mp2_aux.json
/usr/share/doc/bagel/examples/benzene_svp_mp2.json
/usr/share/doc/bagel/examples/ch2_sto3g_meci_opt.json
/usr/share/doc/bagel/examples/cuh2_ecp_hf.json
/usr/share/doc/bagel/examples/h2o_sto3g_ras_full.json
/usr/share/doc/bagel/examples/h2o_sto3g_ras_restricted.json
/usr/share/doc/bagel/examples/h2o_svp_cas.json
/usr/share/doc/bagel/examples/h2o_svp_fmm.json
/usr/share/doc/bagel/examples/h2o_svp_fmm_restart.json
/usr/share/doc/bagel/examples/h2o_svp_nevpt2.json
/usr/share/doc/bagel/examples/hbr_ecp_sohf.json
/usr/share/doc/bagel/examples/hcl_svp_common_coulomb.json
/usr/share/doc/bagel/examples/hcl_svp_common_gaunt.json
/usr/share/doc/bagel/examples/hcl_svp_dfhf.json
/usr/share/doc/bagel/examples/hcl_svp_dfhf_opt.json
/usr/share/doc/bagel/examples/hcl_svp_london_coulomb.json
/usr/share/doc/bagel/examples/hc_svp_rohf.json
/usr/share/doc/bagel/examples/hc_svp_rohf_opt.json
/usr/share/doc/bagel/examples/he3_svp_asd-dmrg.json
/usr/share/doc/bagel/examples/he_tzvpp_second_coulomb.json
/usr/share/doc/bagel/examples/hf_mix2_dfhf.json
/usr/share/doc/bagel/examples/hf_mix_dfhf_finite.json
/usr/share/doc/bagel/examples/hf_mix_dfhf.json
/usr/share/doc/bagel/examples/hf_mix_dfhf_opt.json
/usr/share/doc/bagel/examples/hf_new_dfhf.json
/usr/share/doc/bagel/examples/hf_read_mol_cart.json
/usr/share/doc/bagel/examples/hf_read_mol_sph.json
/usr/share/doc/bagel/examples/hf_sto3g_fci_dist.json
/usr/share/doc/bagel/examples/hf_sto3g_fci_hz.json
/usr/share/doc/bagel/examples/hf_sto3g_fci_kh.json
/usr/share/doc/bagel/examples/hf_sto3g_fci_restart.json
/usr/share/doc/bagel/examples/hf_sto3g_relfci_breit.json
/usr/share/doc/bagel/examples/hf_sto3g_relfci_coulomb.json
/usr/share/doc/bagel/examples/hf_sto3g_relfci_gaunt.json
/usr/share/doc/bagel/examples/hf_svp_b3lyp.json
/usr/share/doc/bagel/examples/hf_svp_b3lyp_opt.json
/usr/share/doc/bagel/examples/hf_svp_breit.json
/usr/share/doc/bagel/examples/hf_svp_cas_opt.json
/usr/share/doc/bagel/examples/hf_svp_cis.json
/usr/share/doc/bagel/examples/hf_svp_common_dfhf.json
/usr/share/doc/bagel/examples/hf_svp_coulomb.json
/usr/share/doc/bagel/examples/hf_svp_coulomb_opt.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_cart.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_charge.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_dkh_grad.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_dkh.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_ext.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_grad.json
/usr/share/doc/bagel/examples/hf_svp_dfhf.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_opt_cart.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_opt.json
/usr/share/doc/bagel/examples/hf_svp_dfhf_restart.json
/usr/share/doc/bagel/examples/hf_svp_gaunt.json
/usr/share/doc/bagel/examples/hf_svp_hf.json
/usr/share/doc/bagel/examples/hf_svp_london_coulomb.json
/usr/share/doc/bagel/examples/hf_svp_london_dfhf.json
/usr/share/doc/bagel/examples/hf_svp_london_gaunt.json
/usr/share/doc/bagel/examples/hf_svp_london_hf.json
/usr/share/doc/bagel/examples/hf_svp_mp2_aux_finite.json
/usr/share/doc/bagel/examples/hf_svp_mp2_aux_opt.json
/usr/share/doc/bagel/examples/hf_svp_mp2_opt.json
/usr/share/doc/bagel/examples/hf_svp_sacas_opt.json
/usr/share/doc/bagel/examples/hf_svp_second_coulomb.json
/usr/share/doc/bagel/examples/hf_tzvpp_zcasscf_saveref.json
/usr/share/doc/bagel/examples/hf_write_mol_cart.json
/usr/share/doc/bagel/examples/hf_write_mol_sph.json
/usr/share/doc/bagel/examples/hhe_svp_fci2_trip.json
/usr/share/doc/bagel/examples/hhe_svp_fci_hz_trip.json
/usr/share/doc/bagel/examples/hhe_svp_fci_kh_trip.json
/usr/share/doc/bagel/examples/hhe_svp_ras_full.json
/usr/share/doc/bagel/examples/hhe_svp_ras_restricted.json
/usr/share/doc/bagel/examples/li2_svp_caspt2_grad.json
/usr/share/doc/bagel/examples/li2_svp_caspt2_shift.json
/usr/share/doc/bagel/examples/li2_tzvpp_cas43.json
/usr/share/doc/bagel/examples/lif_svp_cas22.json
/usr/share/doc/bagel/examples/lif_svp_cas_nacme.json
/usr/share/doc/bagel/examples/lif_svp_mscaspt2_grad.json
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_finite.json
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_grad_imag.json
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_grad.json
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_nacme.json
/usr/share/doc/bagel/examples/lih_tzvpp_cas22.json
/usr/share/doc/bagel/examples/nh_svp_triplet_gaunt.json
/usr/share/doc/bagel/examples/o2_321g_zcasscf_pseudospin.json
/usr/share/doc/bagel/examples/o2_svp_triplet_breit.json
/usr/share/doc/bagel/examples/oh_svp_uhf.json
/usr/share/doc/bagel/examples/oh_svp_uhf_opt.json
/usr/share/doc/bagel/examples/watertrimer_sto3g_pml_region.json
/usr/share/doc/bagel/examples/watertrimer_sto3g_rl.json
/usr/share/doc/bagel/html/asd/asd_dmrg.html
/usr/share/doc/bagel/html/asd/asd.html
/usr/share/doc/bagel/html/asd/asd_orbopt.html
/usr/share/doc/bagel/html/asd/dimer_asd.html
/usr/share/doc/bagel/html/asd/dimer.html
/usr/share/doc/bagel/html/asd/multisite.html
/usr/share/doc/bagel/html/author.html
/usr/share/doc/bagel/html/ci/ci_methods.html
/usr/share/doc/bagel/html/ci/fci.html
/usr/share/doc/bagel/html/ci/rasci.html
/usr/share/doc/bagel/html/ci/zfci.html
/usr/share/doc/bagel/html/funding.html
/usr/share/doc/bagel/html/grad/dynamics.html
/usr/share/doc/bagel/html/grad/force.html
/usr/share/doc/bagel/html/grad/grad.html
/usr/share/doc/bagel/html/grad/hess.html
/usr/share/doc/bagel/html/grad/methods.html
/usr/share/doc/bagel/html/_images/bagel-final.png
/usr/share/doc/bagel/html/_images/benzene_dimer.png
/usr/share/doc/bagel/html/_images/benzophenone1.png
/usr/share/doc/bagel/html/_images/benzophenone.png
/usr/share/doc/bagel/html/_images/funding.png
/usr/share/doc/bagel/html/_images/group.jpg
/usr/share/doc/bagel/html/_images/group.png
/usr/share/doc/bagel/html/_images/hf-graphene.png
/usr/share/doc/bagel/html/index.html
/usr/share/doc/bagel/html/miscellaneous/localization.html
/usr/share/doc/bagel/html/miscellaneous/misc.html
/usr/share/doc/bagel/html/miscellaneous/molden.html
/usr/share/doc/bagel/html/miscellaneous/moprint.html
/usr/share/doc/bagel/html/miscellaneous/save_ref.html
/usr/share/doc/bagel/html/molecule/molecule.html
/usr/share/doc/bagel/html/molecule/molecule-toc.html
/usr/share/doc/bagel/html/multi/casscf.html
/usr/share/doc/bagel/html/multi/multi.html
/usr/share/doc/bagel/html/multi/zcasscf.html
/usr/share/doc/bagel/html/opt/optimize.html
/usr/share/doc/bagel/html/pt2/caspt2.html
/usr/share/doc/bagel/html/pt2/mp2.html
/usr/share/doc/bagel/html/pt2/nevpt2.html
/usr/share/doc/bagel/html/pt2/pt2.html
/usr/share/doc/bagel/html/pt2/relcaspt2.html
/usr/share/doc/bagel/html/quickstart/how_to_run_bagel.html
/usr/share/doc/bagel/html/quickstart/installation_guide.html
/usr/share/doc/bagel/html/quickstart/quickstart.html
/usr/share/doc/bagel/html/scf/dhf.html
/usr/share/doc/bagel/html/scf/hf.html
/usr/share/doc/bagel/html/scf/scf.html
/usr/share/doc/bagel/html/search.html
/usr/share/doc/bagel/html/searchindex.js
/usr/share/doc/bagel/html/smith/caspt2.html
/usr/share/doc/bagel/html/smith/mrci.html
/usr/share/doc/bagel/html/smith/relcaspt2.html
/usr/share/doc/bagel/html/smith/relmrci.html
/usr/share/doc/bagel/html/smith/smith.html
/usr/share/doc/bagel/html/_static/ajax-loader.gif
/usr/share/doc/bagel/html/_static/bagel-final.pdf.gz
/usr/share/doc/bagel/html/_static/bagel-final.png
/usr/share/doc/bagel/html/_static/basic.css
/usr/share/doc/bagel/html/_static/classic.css
/usr/share/doc/bagel/html/_static/comment-bright.png
/usr/share/doc/bagel/html/_static/comment-close.png
/usr/share/doc/bagel/html/_static/comment.png
/usr/share/doc/bagel/html/_static/doctools.js
/usr/share/doc/bagel/html/_static/documentation_options.js
/usr/share/doc/bagel/html/_static/down.png
/usr/share/doc/bagel/html/_static/down-pressed.png
/usr/share/doc/bagel/html/_static/file.png
/usr/share/doc/bagel/html/_static/funding.pdf.gz
/usr/share/doc/bagel/html/_static/funding.png
/usr/share/doc/bagel/html/_static/group.jpg
/usr/share/doc/bagel/html/_static/group.png
/usr/share/doc/bagel/html/_static/jquery-3.1.0.js
/usr/share/doc/bagel/html/_static/jquery-3.2.1.js
/usr/share/doc/bagel/html/_static/jquery.js
/usr/share/doc/bagel/html/_static/minus.png
/usr/share/doc/bagel/html/_static/override.css
/usr/share/doc/bagel/html/_static/plus.png
/usr/share/doc/bagel/html/_static/pygments.css
/usr/share/doc/bagel/html/_static/searchtools.js
/usr/share/doc/bagel/html/_static/sidebar.js
/usr/share/doc/bagel/html/_static/underscore-1.3.1.js
/usr/share/doc/bagel/html/_static/underscore.js
/usr/share/doc/bagel/html/_static/up.png
/usr/share/doc/bagel/html/_static/up-pressed.png
/usr/share/doc/bagel/html/_static/websupport.js
/usr/share/doc/bagel/html/supp_info/constants.html
/usr/share/doc/bagel/html/supp_info/supp_info.html
/usr/share/doc/bagel/html/user-manual.html

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5

Versions, suites, and repositories

Each row is recorded package-index metadata for one version, architecture, suite, and repository. Names, URLs, and sizes are source-reported; a link is a potentially mutable retrieval location, not an OpenFactory redistribution claim or proof that OpenFactory retained the artifact bytes.

Version	Release	Architecture	Repository	Package size	Installed size	Publisher repository artifact
1.2.2-6	bookworm / main	amd64	Debian 12 · main · amd64	35 MiB	109 MiB	pool/main/b/bagel/bagel_1.2.2-6_amd64.deb

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5

Checksums and observation dates

For an APT source, signature verification authenticates the repository metadata chain and the Packages index containing this source-reported artifact digest. It does not certify package safety.

1.2.2-6 / amd64Observed Sep 1, 2026 to Sep 1, 2026

Verification status: Metadata observed; artifact bytes were not independently fetched or hashed by this catalog import. The digest below is source-reported.

Source-reported sha256: d71a12ceed542b1b5e231a1bd7ca7edbf3321caf618cedef42c5b6f2c896fad3

After downloading that exact artifact, compare its bytes with the source-reported expected digest:

printf '%s  %s\n' 'd71a12ceed542b1b5e231a1bd7ca7edbf3321caf618cedef42c5b6f2c896fad3' 'bagel_1.2.2-6_amd64.deb' | sha256sum --check --strict -

A match establishes equality with the repository metadata value. It does not establish safety or catalog-side artifact retrieval.

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5

Catalog record completeness

The completeness score measures metadata coverage, not software quality, security, compatibility, or suitability.

Summary and description: 25/25
Artifact path and source digest: 25/25
Dependency metadata: 15/15
Package-file index: 15/15
Homepage: 5/5
License text: 0/5
Source package or maintainer: 10/10

Recorded total: 95/100

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5, Debian 12 (Bookworm) main arm64 revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00. The cross-OS mapping is catalog-derived from the source-reported homepage; it does not establish authorship or publisher identity

Sources and provenance

Field-source links above resolve here. Each source entry names the metadata publisher, trust tier, exact snapshot revision, signature result, and observation time; catalog-derived mappings are labeled separately.

Debian 12 (Bookworm) main amd64Sep 1, 2026
Authoritative source; repository metadata signature verified, revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5
Signature verification covers the configured repository metadata chain. It does not certify that the package is safe or suitable.
Repository-signature verification record
Signed object
https://deb.debian.org/debian/dists/bookworm/InRelease
Signed-object SHA-256
77737fa4b34f2693e982cc9ee35736816c35a7778fc2d326cc1bbf5b301fe1aa
Signer fingerprint
4CB50190207B4758A3F73A796ED0E7B82643E131
Keyring revision
debian-archive-keyring.gpg
SHA-256 506b815cbb32d9b6066b4a2aa524071e071761e7e7f68c3ac74f3061ba852017
Tool and policy
gpgv (GnuPG) 2.4.9
openfactory-software-catalog-signature-v1
Verification time
Sep 1, 2026
Signed Release → package-index hash linkage
Path: main/binary-amd64/Packages.xz
Expected SHA-256: 9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5
Observed SHA-256: 9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5
Result: match verified
Debian 12 (Bookworm) main arm64Sep 1, 2026
Authoritative source; repository metadata signature verified, revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00
Signature verification covers the configured repository metadata chain. It does not certify that the package is safe or suitable.
Repository-signature verification record
Signed object
https://deb.debian.org/debian/dists/bookworm/InRelease
Signed-object SHA-256
77737fa4b34f2693e982cc9ee35736816c35a7778fc2d326cc1bbf5b301fe1aa
Signer fingerprint
4CB50190207B4758A3F73A796ED0E7B82643E131
Keyring revision
debian-archive-keyring.gpg
SHA-256 506b815cbb32d9b6066b4a2aa524071e071761e7e7f68c3ac74f3061ba852017
Tool and policy
gpgv (GnuPG) 2.4.9
openfactory-software-catalog-signature-v1
Verification time
Sep 1, 2026
Signed Release → package-index hash linkage
Path: main/binary-arm64/Packages.xz
Expected SHA-256: 2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00
Observed SHA-256: 2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00
Result: match verified