---
name: 2dhf
version: 2005.05_4
origin: science/2dhf
comment: A Numerical Hartree-Fock Program for Diatomic Molecules
arch: freebsd:9:x86:64
www: http://scarecrow.1g.fi/2d/admin/getit.html
maintainer: maho@FreeBSD.org
prefix: /usr/local
licenselogic: single
flatsize: 4699189
desc: |+
  A Numerical Hartree-Fock Program for Diatomic Molecules

  The program finds virtually exact solution of the Hartree-Fock
  and Hartree-Fock-Slater equations for diatomic molecules. The
  lowest eigenstates of a given irreducible representation and
  spin can be obtained. Distributed under GPL.

  WWW: http://scarecrow.1g.fi/2d/admin/getit.html

deps:
  mpfr: {origin: math/mpfr, version: 3.1.2}
  mpc: {origin: math/mpc, version: 0.9}
  lapack: {origin: math/lapack, version: 3.4.2}
  gmp: {origin: math/gmp, version: 5.1.2}
  blas: {origin: math/blas, version: 3.4.2}
  gcc: {origin: lang/gcc, version: 4.6.3}
  gettext: {origin: devel/gettext, version: 0.18.3}
  binutils: {origin: devel/binutils, version: 2.23.2}
  libiconv: {origin: converters/libiconv, version: 1.14_1}
categories:
- science
shlibs_required:
- libblas.so.2
- libgfortran.so.3
- libgcc_s.so.1
- libquadmath.so.0
files:
  /usr/local/bin/x2dhf: 8eee0ba23e371c24ed505fe7ba76c660e7407cc746c6376a72cea12554106a60
  /usr/local/bin/xhf: 72a7dc73bcf3605dea9e46abebe7bebc9f63488811a28165ab4167ba8667f09b
  /usr/local/share/doc/2dhf/2dhf.pdf: 4712f6076d81cb65bc907c556b59a3b8e4e7a6e80bdac3b7c3dde869d75bdf66
  /usr/local/share/doc/2dhf/users-guide.html: 38cc01c521fe8edbe469622f95ffc7f0e2aca4a290e813bb984de7ee088cf909
  /usr/local/share/doc/2dhf/users-guide.pdf: 476ab227bab4d8c49e47f3d3d01d76f1befa57da324dc6e2cf825c8ab7e553a7
  /usr/local/share/examples/2dhf/be/be-1.data: 24daff7c09adf0f04337e06255bc01a47da4a4d22ad84bf7413434fb9e22dc10
  /usr/local/share/examples/2dhf/be/be-1.output: 8b10bac5f920d34b8aa1104ff00e800800f2cafc66d395566e1d8f56525f01da
  /usr/local/share/examples/2dhf/be/be.data: ac55291b075dc60a2d1fba125db91ccfb12ce555996b6727d07f3257442a05cd
  /usr/local/share/examples/2dhf/be/be.output: 86d6e6ad063d31253d7643b609725915d0c4bcee94e915c16dd58f23aa4a1f98
  /usr/local/share/examples/2dhf/bef/bef.data: 474c57c290f89c36e2fe3178498181c9b1ee0e33ef7962239d0e89c52cf545aa
  /usr/local/share/examples/2dhf/bef/bef.output: e073976821babdc55a903e24d7f835653aff0683b876751de920bf05db342f44
  /usr/local/share/examples/2dhf/bf/bf.inp: 81ed8be6ad635f61d1e8027afe9e814a6e1c07f19d98d6bab0e4800e55242b43
  /usr/local/share/examples/2dhf/bf/bf_g94.data: 4289ec72ea77a3e6ac38f6412913fe71635bdedbd25ad0403ed58d7dbc7dba93
  /usr/local/share/examples/2dhf/bf/bf_g94.out: 07683992429b914ce53ff708d18632fd0073e5d31099f6b2bddf0b2a4b59ef5e
  /usr/local/share/examples/2dhf/bf/bf_g94.output: b35b312180378b716cf0268f163e3bc536d98babb7a1ee13f898a2ff1a97ac42
  /usr/local/share/examples/2dhf/bf/bf_g94.pun: c51943ab99a912b12f19d9ffa366d30719ed6ae4d431c955f92c07a8b72adf13
  /usr/local/share/examples/2dhf/bf/bf_g94l.data: 2917a08a38289ec03158765336e98de6178307c20af36aa7c73ae1aa6eec400d
  /usr/local/share/examples/2dhf/bf/bf_g94la.out: a769933e2c911273b170b6e1f6d164a31e7d05cabf1153bd08765a9f8adc7d1a
  /usr/local/share/examples/2dhf/bf/bf_g94la.output: f4b335fa4401e42bead24dbd11820fb51c8c82556ebcaf678642ab56338e2b59
  /usr/local/share/examples/2dhf/bf/bf_g94lb.out: 81ec1f08d26165c8876b01a60d3b8d345f7ac4c4f0ce883e42e0e1a6534e475f
  /usr/local/share/examples/2dhf/bf/bf_g94lb.output: a589f4e0fcc7117dff5e8cc4397e4afc6be53ee538b37654eefa9fbb46f34452
  /usr/local/share/examples/2dhf/bo/bo.data: 229be17c7be73e1f6a2bb8d542da8fd3ce9d4d0b4ab7d8e6ab82f5657d3a2b37
  /usr/local/share/examples/2dhf/bo/bo.inp: 75f754dbf316d6469706c4d324f04fa42c6ed6a3d9275841caa033feabd276dd
  /usr/local/share/examples/2dhf/bo/bo.out: 0dd3880e9d8fd5b41ea515f6f3201c3c88c1ada39376f8657ea6f2a8793c7889
  /usr/local/share/examples/2dhf/bo/bo.output: 4bb2db45681e2ca225587f16354727afdc32f60f90f316f8eab5099d4a1185ae
  /usr/local/share/examples/2dhf/bo/bo.pun: 667a98ca2679148107aa5ba17e38736cc58ac8e37f3a4cad42b5e44cc3eaa435
  /usr/local/share/examples/2dhf/c/c.data: b04e1635423cf0e8e51dc57c447475ab0076a6849faca843b6ede6e2ef771692
  /usr/local/share/examples/2dhf/c/c.output: 0333a5e7c8173cc234d3b61cf081dd337715b4f3c33c4a300083405157f569ea
  /usr/local/share/examples/2dhf/c/c1d2.data: 064aea43e2f21a37d049b72bf60c4914a7f71c882526db8b9470050bb84a6c78
  /usr/local/share/examples/2dhf/c/c1d2.output: 904f17339debcecdcb2bf5ea1efb0f56e915fdc5c56583fa7d30539d7a31c5b8
  /usr/local/share/examples/2dhf/c/c3p1.data: 54a985ff472bbe422d354736d208ce321f69214fa6a48c239953c91a1e5de9c4
  /usr/local/share/examples/2dhf/c/c3p1.output: 990e34da68e9d55339db421c189c174c957a72bfdeca095ecead360fd49cb774
  /usr/local/share/examples/2dhf/c/cplus.data: 157c4c2000e32592240b1c7fde9d2b55f611864b809e3739bd61cac23ebcd6de
  /usr/local/share/examples/2dhf/c/cplus.output: 3dcb5e6048d68ea7645db3f066ac3f16e79531e6e1fab4e272be6d32f75f0c1a
  /usr/local/share/examples/2dhf/c2/c2.out: 6922dfbc47a4f4b7fe1d5c4740d61dd081d7068cf9acab36ae7208fb5c436b6d
  /usr/local/share/examples/2dhf/c2/c2.pun: bf453eae0dd5bbcfd14a99ca81a0f341b9f2b5949ba7c283624b3afc4d61cee9
  /usr/local/share/examples/2dhf/c2/c2a.data: 7786a8cf8404052a64c4fbdd9a87739b39dc5d00d843f05de797e33089e7c2aa
  /usr/local/share/examples/2dhf/c2/c2a.output: adc1c5c95b05f0f89fde2563f77b294f03b0be800e6bb63af0a893b71f8b65f2
  /usr/local/share/examples/2dhf/c2/c2b.data: 4669ee80f6f31bcf9a7d5d7cea72b8f772b1c905ba88ae53777bc9f4b186a73b
  /usr/local/share/examples/2dhf/c2/c2c.data: 347c5c092056d29748b2e44b977a34e244abe3f59901ebca8fb6bf8468386c0f
  /usr/local/share/examples/2dhf/f2/f2.data: 9f18986bf9c19790049f67a4d579a921d77ad2a850432672b290f878335171d2
  /usr/local/share/examples/2dhf/f2/f2.out: feb760e12a816776414ffeebfdfbc319ff3bb6c96ebc6cba0a0b587d22b60df6
  /usr/local/share/examples/2dhf/f2/f2.output: 6f313df0abeec88a06e890d7be5df2f154e57addd1764ffd88d0a4c22950c661
  /usr/local/share/examples/2dhf/f2/f2.pun: 2fa8010bd7eeb99fd20a9bfa1626b48c7a91d62c304250d2cf95b275b3792823
  /usr/local/share/examples/2dhf/fh/Run_FH: e27dc1e20dce75ff0a6f0c42d8d62bc3d42b930fed0932a00f410d6e190367aa
  /usr/local/share/examples/2dhf/fh/Run_elprop.pl: 3f733dde97214ab77874ddbb6d561d5811c9934cebec06cbbb96fd6352dce696
  /usr/local/share/examples/2dhf/fh/fh-0.data: d1bf0dd608bcdf46b3dcf32c7b10ed61d5b3be4ce926b5b08291c2219976469a
  /usr/local/share/examples/2dhf/fh/fh-223-150-0-1.output: a176a016ae0a7e02d7a48e57d6fc20bcaa0f4e04c17f773cb0f210ffa8b3aadd
  /usr/local/share/examples/2dhf/fh/fh-223-150-m1-1.output: 01d3b247cd5c494d9a0c2d21f685affac11226f5019eccabebb6127756fde544
  /usr/local/share/examples/2dhf/fh/fh-223-150-m2-1.output: ab20eeb1a0b3658a50373db54508f45802f09df6154c96685a773ea2873a67fa
  /usr/local/share/examples/2dhf/fh/fh-223-150-p1-1.output: d6251ab03bfffcec0aeb25598d6768b68c012b912216d271e75502fd1922ab30
  /usr/local/share/examples/2dhf/fh/fh-223-150-p2-1.output: 5f05e40e9886861e5e29c8a880b9701815a4df564a3e79e12c911bdc0a59dc75
  /usr/local/share/examples/2dhf/fh/fh-m1.data: ea1e3e33fa686fe7823512265ffce22d6a4b24ce78b900592f912c85128f68b5
  /usr/local/share/examples/2dhf/fh/fh-m2.data: 2d94ca2660621bff5c41c166732d34e2cac169ebd65ef5f1702134e0a29fd30d
  /usr/local/share/examples/2dhf/fh/fh-p1.data: a2b4baadfd26f1cad0b90d5efa9b4e96815e1930210368397c454078017664cc
  /usr/local/share/examples/2dhf/fh/fh-p2.data: a3fd043bd39532cc5a0af9926a5918dbde4b5b578d0b012436575680f32fd4d9
  /usr/local/share/examples/2dhf/gaf/gaf.data: fa108b22a1962e4b248e138d0b5cb1ec94e972137991240cb10478ec4d368a77
  /usr/local/share/examples/2dhf/gaf/gaf.output: 9a1032f05d78194eb742b7c8856faa33edb67dae30b876d47e606fad100f4e55
  /usr/local/share/examples/2dhf/h2+/h2+.data: f2566c46ff0034e47258af096c77e9ee44f8946786182f8866e27a2d6ca866e8
  /usr/local/share/examples/2dhf/h2+/h2+.output: 72575a51acdc99f6c8ede1b69a70a37aac47f247b1040449451a0b2093ece376
  /usr/local/share/examples/2dhf/h2+/h2plus.data: f2566c46ff0034e47258af096c77e9ee44f8946786182f8866e27a2d6ca866e8
  /usr/local/share/examples/2dhf/h2+/h2plus.output: d917472897e53f81cae7277401888fd7d2652ee606ccce313a5dbd22ad0f7ff0
  /usr/local/share/examples/2dhf/h2/h2.data: 775130acedfa76aa3ad5bd1ab3190e66baca3b0126eb952519c1da216a1ac5fc
  /usr/local/share/examples/2dhf/h2/h2.output: ce19257f8ea085499da25c8fe626d357f42f96eab83efac3f5a612c188d60b9b
  /usr/local/share/examples/2dhf/h2/h2a.data: 1f586863dcc5e0b1649de453f6b2b77ee686d822e783ecc5a8ccd52c4cff3ee9
  /usr/local/share/examples/2dhf/h2/h2b.data: f3ee5945e68e0fc0a3557fc09eba6b89916ac03e154ddfa377cedfcb37d36847
  /usr/local/share/examples/2dhf/li2/li2.data: 7bccb09ee87e60d6ef6b0d80a154dbd6c737d3a6e5ac09accfb36eaff63acec5
  /usr/local/share/examples/2dhf/li2/li2.out: 280075e36ed2d105eb06128475b3de64e6811af8c4642b8c7f8d80d8a0c74bde
  /usr/local/share/examples/2dhf/li2/li2.output: 391300225b7a39273d5cf80ea3a914d121c5b7916b91225f4a8bf167511ef9fd
  /usr/local/share/examples/2dhf/li2/li2.pun: 49f6cd5c95b8296d2d68da533de172bb3bf63197fbfadaa135807a8c453be8e5
  /usr/local/share/examples/2dhf/n2/n2.data: 13a94180db2136d19e0f15873953fff77256409167df553715a3eb454493aa10
  /usr/local/share/examples/2dhf/n2/n2.output: 4b401a99ddb8a8ebd42e40a035702a305b94e693d45b433b10787a8f991cd359
  /usr/local/share/examples/2dhf/th89/th89_1s.data: ac806d9f0a6a37adebf383595ea3624c592cc62f2407811fadd2ae41272a1406
  /usr/local/share/examples/2dhf/th89/th89_1s.output: 828ed45b1c1ae5174659d028fe3e5eb245044609bb77c93cd64800536bdd8664
  /usr/local/share/examples/2dhf/th89/th89_2s.data: 91a4b9a6677c20fcc83c07c6f5addd479a43257d897af8bc9c3717acaa801d75
  /usr/local/share/examples/2dhf/th89/th89_2s.output: aac06deb35d08d6e489563cd6c110691f4b00972babe7ae3ce4807036f4ecf0c
directories:
  /usr/local/share/examples/2dhf/th89/: n
  /usr/local/share/examples/2dhf/n2/: n
  /usr/local/share/examples/2dhf/li2/: n
  /usr/local/share/examples/2dhf/h2/: n
  /usr/local/share/examples/2dhf/h2+/: n
  /usr/local/share/examples/2dhf/gaf/: n
  /usr/local/share/examples/2dhf/fh/: n
  /usr/local/share/examples/2dhf/f2/: n
  /usr/local/share/examples/2dhf/c2/: n
  /usr/local/share/examples/2dhf/c/: n
  /usr/local/share/examples/2dhf/bo/: n
  /usr/local/share/examples/2dhf/bf/: n
  /usr/local/share/examples/2dhf/bef/: n
  /usr/local/share/examples/2dhf/be/: n
  /usr/local/share/examples/2dhf/: n
  /usr/local/share/doc/2dhf/: n
scripts: {}
