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Port details
dirac Program for atomic & molecular relativistic all-electron calculations
22.0_2 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 22.0_1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-08-11 07:48:23
Last Update: 2024-02-02 18:44:26
Commit Hash: c65c786
License: LGPL21
WWW:
http://diracprogram.org/doku.php
Description:
The DIRAC program computes molecular properties using relativistic quantum chemical methods. It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
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  1. /usr/local/share/licenses/dirac-quantum-chemistry-software-22.0_2/catalog.mk
  2. /usr/local/share/licenses/dirac-quantum-chemistry-software-22.0_2/LICENSE
  3. /usr/local/share/licenses/dirac-quantum-chemistry-software-22.0_2/LGPL21
  4. bin/pam-dirac
  5. share/dirac/DIRACschema.txt
  6. share/dirac/GIT_HASH
  7. share/dirac/VERSION
  8. share/dirac/basis/MOLFDIR/Dyall.basis/As.acvdz.bas
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  432. share/dirac/basis_dalton/6-31++G
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  435. share/dirac/basis_dalton/6-31+G
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  439. share/dirac/basis_dalton/6-311++G-star-star
  440. share/dirac/basis_dalton/6-311+G-star
  441. share/dirac/basis_dalton/6-311G
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  443. share/dirac/basis_dalton/6-311G-star
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  445. share/dirac/basis_dalton/6-31G
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  447. share/dirac/basis_dalton/6-31G-star
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  449. share/dirac/basis_dalton/ANO-DK3
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  451. share/dirac/basis_dalton/Ahlrichs-Coulomb-Fit
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  453. share/dirac/basis_dalton/Ahlrichs-VDZ
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  456. share/dirac/basis_dalton/Almlof-Taylor-ANO
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  458. share/dirac/basis_dalton/DZ+Rydberg(Dunning)
  459. share/dirac/basis_dalton/DZP(Dunning)
  460. share/dirac/basis_dalton/DZP+Diffuse(Dunning)
  461. share/dirac/basis_dalton/DZP+Rydberg(Dunning)
  462. share/dirac/basis_dalton/GAMESS-PVTZ
  463. share/dirac/basis_dalton/GAMESS-VTZ
  464. share/dirac/basis_dalton/Huckel
  465. share/dirac/basis_dalton/Huz-II
  466. share/dirac/basis_dalton/Huz-III
  467. share/dirac/basis_dalton/Huz-IIIsu3
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  469. share/dirac/basis_dalton/Huz-IV
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  472. share/dirac/basis_dalton/MINI(Scaled)
  473. share/dirac/basis_dalton/McLean-Chandler-VTZ
  474. share/dirac/basis_dalton/NASA-Ames-ANO
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  477. share/dirac/basis_dalton/STO-2G
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  480. share/dirac/basis_dalton/SV(Dunning-Hay)
  481. share/dirac/basis_dalton/SV+DoubleRydberg(Dunning-Hay)
  482. share/dirac/basis_dalton/SV+Rydberg(Dunning-Hay)
  483. share/dirac/basis_dalton/SVP(Dunning-Hay)
  484. share/dirac/basis_dalton/SVP+Diffuse(Dunning-Hay)
  485. share/dirac/basis_dalton/Sadlej-pVTZ
  486. share/dirac/basis_dalton/Sadlej-pVTZ-J
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  488. share/dirac/basis_dalton/TZVPP-MP2-fit
  489. share/dirac/basis_dalton/Turbomole-DZ
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  491. share/dirac/basis_dalton/Turbomole-Jfit-Xe
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  502. share/dirac/basis_dalton/Turbomole-TZVPP
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  504. share/dirac/basis_dalton/Wachtersa+f
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  514. share/dirac/basis_dalton/aug-cc-pCV5Z
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  623. share/dirac/basis_ecp/ECPCE36SF
  624. share/dirac/basis_ecp/ECPCE36SO
  625. share/dirac/basis_ecp/ECPCE46SF
  626. share/dirac/basis_ecp/ECPCE46SO
  627. share/dirac/basis_ecp/ECPCE46_TZ
  628. share/dirac/basis_ecp/ECPCE60SF
  629. share/dirac/basis_ecp/ECPCE60SO
  630. share/dirac/basis_ecp/ECPCE68SF
  631. share/dirac/basis_ecp/ECPCE68SO
  632. share/dirac/basis_ecp/ECPDS10MDFSF
  633. share/dirac/basis_ecp/ECPDS10MDFSO
  634. share/dirac/basis_ecp/ECPDS10MHFSF
  635. share/dirac/basis_ecp/ECPDS10MWBSF
  636. share/dirac/basis_ecp/ECPDS10SDFSF
  637. share/dirac/basis_ecp/ECPDS18MHFSF
  638. share/dirac/basis_ecp/ECPDS18MWBSF
  639. share/dirac/basis_ecp/ECPDS18SDFSF
  640. share/dirac/basis_ecp/ECPDS18SHFSF
  641. share/dirac/basis_ecp/ECPDS28MDFSF
  642. share/dirac/basis_ecp/ECPDS28MDFSO
  643. share/dirac/basis_ecp/ECPDS28MHFSF
  644. share/dirac/basis_ecp/ECPDS28MWBSF
  645. share/dirac/basis_ecp/ECPDS28MWBSO
  646. share/dirac/basis_ecp/ECPDS28SDFSF
  647. share/dirac/basis_ecp/ECPDS28SHFSF
  648. share/dirac/basis_ecp/ECPDS2MHFSF
  649. share/dirac/basis_ecp/ECPDS2MWBSF
  650. share/dirac/basis_ecp/ECPDS2SDFSF
  651. share/dirac/basis_ecp/ECPDS36MWBSF
  652. share/dirac/basis_ecp/ECPDS36SDFSF
  653. share/dirac/basis_ecp/ECPDS36SHFSF
  654. share/dirac/basis_ecp/ECPDS46MDFSF
  655. share/dirac/basis_ecp/ECPDS46MDFSO
  656. share/dirac/basis_ecp/ECPDS46MHFSF
  657. share/dirac/basis_ecp/ECPDS46MWBSF
  658. share/dirac/basis_ecp/ECPDS46SDFSF
  659. share/dirac/basis_ecp/ECPDS46SHFSF
  660. share/dirac/basis_ecp/ECPDS47MHFSF
  661. share/dirac/basis_ecp/ECPDS47MWBSF
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  664. share/dirac/basis_ecp/ECPDS49MHFSF
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  666. share/dirac/basis_ecp/ECPDS50MHFSF
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  715. share/dirac/basis_ecp/ECPDS92MDFBQSO
  716. share/dirac/basis_ecp/ECPDS92MDFBQ_QZVP
  717. share/dirac/basis_ecp/ECPDS92MDFBSF
  718. share/dirac/basis_ecp/ECPDS92MDFBSO
  719. share/dirac/basis_ecp/ECPDS92MDFB_QZVP
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  731. share/dirac/basis_ecp/ECPHW78SF
  732. share/dirac/basis_ecp/ECPSB10SF
  733. share/dirac/basis_ecp/ECPSB2SF
  734. share/dirac/cf_addlabels.x
  735. share/dirac/cfread.x
  736. share/dirac/diag.x
  737. share/dirac/dirac.x
  738. share/dirac/dirac_data.py
  739. share/dirac/dirac_mointegral_export.x
  740. share/dirac/labread.x
  741. share/dirac/mx2fit.x
  742. share/dirac/pam
  743. share/dirac/pcmo_addlabels.x
  744. share/dirac/polfit.x
  745. share/dirac/process_schema.py
  746. share/dirac/rspread.x
  747. share/dirac/test_allocator.x
  748. share/dirac/twofit.x
  749. share/dirac/vibcal.x
  750. @owner
  751. @group
  752. @mode
Collapse this list.
Dependency lines:
  • dirac-quantum-chemistry-software>0:science/dirac
To install the port:
cd /usr/ports/science/dirac/ && make install clean
To add the package, run one of these commands:
  • pkg install science/dirac
  • pkg install dirac-quantum-chemistry-software
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: dirac-quantum-chemistry-software
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1660200127 SHA256 (DIRAC-22.0-Source.tar.gz) = c8c011b5bc2ca36a2ef76b2deb911638321655fcae1d1b146cacfa1b5f783711 SIZE (DIRAC-22.0-Source.tar.gz) = 98408177

Packages (timestamps in pop-ups are UTC):
dirac-quantum-chemistry-software
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest22.0_222.0_2------
FreeBSD:13:quarterly22.0_222.0_2------
FreeBSD:14:latest22.0_222.0_2------
FreeBSD:14:quarterly22.0_222.0_2------
FreeBSD:15:latest22.0_222.0_2n/a-n/a---
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gmake : devel/gmake
  2. cmake : devel/cmake-core
  3. gfortran12 : lang/gcc12
  4. python3.9 : lang/python39
  5. as : devel/binutils
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. gfortran12 : lang/gcc12
  2. python3.9 : lang/python39
Library dependencies:
  1. libblas.so : math/blas
  2. libhdf5.so : science/hdf5
  3. liblapack.so : math/lapack
This port is required by:
for Run
  1. science/py-OpenFermion-Dirac

Configuration Options:
No options to configure
Options name:
science_dirac
USES:
cmake:noninja,testing fortran localbase:ldflags python shebangfix
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://zenodo.org/record/6010450/files/
Collapse this list.

Number of commits found: 11

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
22.0_2
02 Feb 2024 18:44:26
commit hash: c65c786b33a8c78e479cddaf6118e5c97a232bcecommit hash: c65c786b33a8c78e479cddaf6118e5c97a232bcecommit hash: c65c786b33a8c78e479cddaf6118e5c97a232bcecommit hash: c65c786b33a8c78e479cddaf6118e5c97a232bce files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Broken on powerpc64, powerpc64le; Fix build on i386

Reported by:	fallout
22.0_2
01 Jan 2024 11:49:51
commit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfd files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0

PR:		275860
22.0_1
19 Nov 2023 09:36:25
commit hash: c3bbf2cf15284e03e6804750f83d9b659b1afb93commit hash: c3bbf2cf15284e03e6804750f83d9b659b1afb93commit hash: c3bbf2cf15284e03e6804750f83d9b659b1afb93commit hash: c3bbf2cf15284e03e6804750f83d9b659b1afb93 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Fix build by adding USES=localbase:ldflags

Otherwise liblapack wasn't found.

PR:		275165
Reported by:	Lorenzo Salvadore <salvadore@freebsd.org>; fallout
22.0_1
12 Jul 2023 18:56:04
commit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986c files touched by this commit
Felix Palmen (zirias) search for other commits by this committer
bsd.sites.mk: Update all ports using USE_GITLAB

Replace GL_COMMIT by GL_TAGNAME in all ports. The new GL_TAGNAME is
backwards-compatible (accepting any commit hash as before), but also
understands an actual tag name. Moving to tag names where appropriate is
left to individual ports' maintainers.

Approved by:		portmgr (tcberner, mentor)
Differential Revision:	https://reviews.freebsd.org/D37077
22.0_1
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
22.0
27 Nov 2022 10:17:18
commit hash: aa71322324a6246f762f4cb0ab36b67aa2a77d20commit hash: aa71322324a6246f762f4cb0ab36b67aa2a77d20commit hash: aa71322324a6246f762f4cb0ab36b67aa2a77d20commit hash: aa71322324a6246f762f4cb0ab36b67aa2a77d20 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Broken on armv7

Reported by:	fallout
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Remove WWW entries moved into port Makefiles

Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
22.0
07 Sep 2022 21:10:59
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Add WWW entries to port Makefiles

It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.

Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.

There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above View all of this commit message)
22.0
15 Aug 2022 05:44:16
commit hash: 5fd3de30bafc903a736506154d33eba154437ad7commit hash: 5fd3de30bafc903a736506154d33eba154437ad7commit hash: 5fd3de30bafc903a736506154d33eba154437ad7commit hash: 5fd3de30bafc903a736506154d33eba154437ad7 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Broken on i386

Reported by:	fallout
22.0
11 Aug 2022 19:47:05
commit hash: 547fa5d1d27d9e376bbf7e180fcf377f54e94456commit hash: 547fa5d1d27d9e376bbf7e180fcf377f54e94456commit hash: 547fa5d1d27d9e376bbf7e180fcf377f54e94456commit hash: 547fa5d1d27d9e376bbf7e180fcf377f54e94456 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Add comment about failing tests
22.0
11 Aug 2022 07:46:54
commit hash: f9e5eb0630dcd845be7da1e45e6e28967ea8a97acommit hash: f9e5eb0630dcd845be7da1e45e6e28967ea8a97acommit hash: f9e5eb0630dcd845be7da1e45e6e28967ea8a97acommit hash: f9e5eb0630dcd845be7da1e45e6e28967ea8a97a files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: New port: Program for atomic & molecular relativistic
all-electron calculations

Number of commits found: 11