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Port details
psi88 Plotting wavefunctions (molecular orbitals) in 3D
1.0_17 biology 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 1.0_17Version of this port present on the latest quarterly branch.
There is no maintainer for this port.
Any concerns regarding this port should be directed to the FreeBSD Ports mailing list via ports@FreeBSD.org search for ports maintained by this maintainer
Port Added: unknown
Last Update: 2023-04-23 09:09:58
Commit Hash: 8d3e020
License: not specified in port
WWW:
http://zarbi.chem.yale.edu/products/psi88/index.shtml
Description:
PSI/88 Version 1.0 by W. L. Jorgensen & D. L. Severance To plot wavefunctions in three dimensions from semi-empirical and most popular ab initio basis sets. Valence semi-empirical, STO-3G, 3-21++G(*) and 6-31++G(d,p) basis sets are implemented for atoms H-Ar. On-line manual is available at this web site. You can also download the source code of psi88 from the above site as a ``psi88.tar.gz''. When you do ungzip and untar this archive, you will obtain some documents and the ``psi88.tar.Z'' file which is required at this port.
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
Expand this list (11 items)
Collapse this list.
  1. bin/PSI1
  2. bin/PSICON
  3. bin/PSI2CT
  4. bin/PSI2HP
  5. bin/PSI2PS
  6. bin/PSI2
  7. bin/PREPLOT
  8. bin/preplot
  9. bin/rpsi1
  10. bin/rpsi2
  11. bin/rpsicon
Collapse this list.
Dependency lines:
  • psi88>0:biology/psi88
To install the port:
cd /usr/ports/biology/psi88/ && make install clean
To add the package, run one of these commands:
  • pkg install biology/psi88
  • pkg install psi88
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: psi88
Flavors: there is no flavor information for this port.
distinfo:
SHA256 (psi88.tar.Z) = c3aa19bb5cd2ab33acfb8f2aabb2f97cb47943164bdac3ee90e7badb7848f8c7 SIZE (psi88.tar.Z) = 142034

Packages (timestamps in pop-ups are UTC):
psi88
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest1.0_171.0_171.0_161.0_171.0_17-1.0_16-
FreeBSD:13:quarterly1.0_171.0_17-1.0_171.0_17-1.0_171.0_17
FreeBSD:14:latest1.0_171.0_17-1.0_171.0_17---
FreeBSD:14:quarterly1.0_171.0_17-1.0_171.0_17-1.0_171.0_17
FreeBSD:15:latest1.0_171.0_17n/a1.0_17n/a-1.0_171.0_17
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. gfortran12 : lang/gcc12
  2. as : devel/binutils
Runtime dependencies:
  1. gfortran12 : lang/gcc12
There are no ports dependent upon this port

Configuration Options:
===> The following configuration options are available for psi88-1.0_17: DOCS=on: Build and/or install documentation EXAMPLES=on: Build and/or install examples ===> Use 'make config' to modify these settings
Options name:
biology_psi88
USES:
fortran tar:Z
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. http://www.ccl.net/cca/software/SOURCES/FORTRAN/psi88/
Collapse this list.

Number of commits found: 44

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
1.0_17
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
1.0_16
08 Sep 2022 15:46:38
commit hash: ade2a047e0eb835f7f42682496614cfd259757eacommit hash: ade2a047e0eb835f7f42682496614cfd259757eacommit hash: ade2a047e0eb835f7f42682496614cfd259757eacommit hash: ade2a047e0eb835f7f42682496614cfd259757ea files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Remove WWW lines that have been moved into Makefiles

Approved by:	portmgr (implicit)
1.0_16
08 Sep 2022 15:43:21
commit hash: 986beaaabc71b9e7e29e7e89e0f36405b687216fcommit hash: 986beaaabc71b9e7e29e7e89e0f36405b687216fcommit hash: 986beaaabc71b9e7e29e7e89e0f36405b687216fcommit hash: 986beaaabc71b9e7e29e7e89e0f36405b687216f files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Move more WWW entries from pkg-descr files into Makefiles

The WWW: lines in the pkg-descr files of these ports where not at the
end of those files and have been missed in prior conversion runs.

Approved by:	portmgr (implicit)
1.0_16
20 Jul 2022 14:20:57
commit hash: 37526bbd4e50616d87f70e1c788ae4895d88d671commit hash: 37526bbd4e50616d87f70e1c788ae4895d88d671commit hash: 37526bbd4e50616d87f70e1c788ae4895d88d671commit hash: 37526bbd4e50616d87f70e1c788ae4895d88d671 files touched by this commit
Tobias C. Berner (tcberner) search for other commits by this committer
biology: remove 'Created by' lines

A big Thank You to the original contributors of these ports:

  *  Aaron Dalton <aaron@FreeBSD.org>
  *  Akinori MUSHA aka knu <knu@idaemons.org>
  *  Andrey Zakhvatov
  *  Bob Zimmermann <rpz@cse.wustl.edu>
  *  Camson Huynh <chuynh@biolateral.com.au>
  *  Dan Siercks <dsiercks@uwm.edu>
  *  Fernan Aguero <fernan@iib.unsam.edu.ar>
  *  Hannes Hauswedell <h2+fbsdports@fsfe.org>
  *  J. Bacon <jwb@FreeBSD.org>
  *  Jason Bacon <jwb@FreeBSD.org>
  *  Jeremy <karlj000@unbc.ca>
(Only the first 15 lines of the commit message are shown above View all of this commit message)
1.0_16
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
1.0_16
04 Jul 2020 12:15:59
Revision:541204Original commit files touched by this commit
tobik search for other commits by this committer
biology/psi88: Unbreak build with GCC 10

ctplot.f:69:29:

   69 |       CALL SYMBOL (XA,YA,.15,STRING,ANGLE,K)
      |                             1
Error: Rank mismatch in argument 'string' at (1) (scalar and rank-1)

http://package18.nyi.freebsd.org/data/121amd64-default-PR244494/2020-06-10_18h04m44s/logs/errors/psi88-1.0_16.log

PR:		246700
1.0_16
26 Jul 2019 20:46:57
Revision:507372Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.

PR:		238330
1.0_15
22 Apr 2019 13:16:34
Revision:499638Original commit files touched by this commit
gerald search for other commits by this committer
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl
1.0_14
12 Dec 2018 01:35:36
Revision:487272Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.

PR:		231590
1.0_13
29 Jul 2018 22:18:46
Revision:475857Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.

This includes ports
 - featuring USE_GCC=yes or USE_GCC=any,
 - featuring USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and those
 - with USES=compiler specifying one of openmp, nestedfct, c11, c++0x,
   c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib.

PR:		222542
1.0_12
10 Mar 2018 17:46:06
Revision:464084Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONs of all users of math/mpc that we just updated to
version 1.1.0 (via revision 464079).
1.0_11
10 Sep 2017 20:55:39
Revision:449591Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
(via Mk/bsd.default-versions.mk and lang/gcc) which has moved from
GCC 5.4 to GCC 6.4 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c++11-lib, c++11-lang,
   c++14-lang, c++0x, c11, or gcc-c++11-lib.

PR:		219275
1.0_10
01 Apr 2017 15:23:32
Revision:437439Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONs for ports depending on the canonical version of GCC and
lang/gcc which have moved from GCC 4.9.4 to GCC 5.4 (at least under some
circumstances such as versions of FreeBSD or platforms).

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using using Mk/bsd.octave.mk which in turn has USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c++11-lib, c++14-lang,
   c++11-lang, c++0x, c11, or gcc-c++11-lib.

PR:		216707
1.0_9
07 Dec 2016 13:24:57
Revision:428057Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISIONS for ports depending on the canonical version of GCC and
lang/gcc which have moved from GCC 4.8.5 to GCC 4.9.4 (at least under some
circumstances such as versions of FreeBSD or platforms), part II.

The first part covered  ports with USE_GCC=yes, USE_GCC=any, or one of
gcc-c++11-lib, openmp, nestedfct, c++11-lib as well as c++14-lang,
c++11-lang, c++0x, c11 requested via USES=compiler.

This adds ports with USES=fortran and ports using Mk/bsd.octave.mk
which in turn has USES=fortran.

PR:		214965
Reported by:	thierry
1.0_8
19 May 2016 10:21:25
Revision:415498Original commit files touched by this commit
amdmi3 search for other commits by this committer
- Fix trailing whitespace in pkg-descrs, categories [a-f]*

Approved by:	portmgr blanket
1.0_8
16 Apr 2016 06:38:24
Revision:413414Original commit files touched by this commit
amdmi3 search for other commits by this committer
- Switch to options helpers
1.0_8
03 Jun 2015 17:27:09
Revision:388459Original commit files touched by this commit
amdmi3 search for other commits by this committer
- Strip binaries
1.0_7
10 Sep 2014 20:50:37
Revision:367888Original commit files touched by this commit
gerald search for other commits by this committer
Update the default version of GCC in the Ports Collection from GCC 4.7.4
to GCC 4.8.3.

Part II, Bump PORTREVISIONs.

PR:		192025
Tested by:	antoine (-exp runs)
Approved by:	portmgr (implicit)
1.0_6
29 Jul 2014 19:11:53
Revision:363374Original commit files touched by this commit
adamw search for other commits by this committer
Convert a bunch of EXTRACT_SUFX=... into USES=tar:...

Approved by:	portmgr (not really, but touches unstaged ports)
1.0_6
28 Jul 2014 14:22:16
Revision:363159Original commit files touched by this commit
adamw search for other commits by this committer
Rename biology/ patch-xy patches to reflect the files they modify.
1.0_6
10 Mar 2014 20:55:22
Revision:347809Original commit files touched by this commit
gerald search for other commits by this committer
Update the default version of GCC used in the Ports Collection from
GCC 4.6.4 to GCC 4.7.3.  This entails updating the lang/gcc port as
well as changing the default in Mk/bsd.default-versions.mk.

Part II, Bump PORTREVISIONs.

PR:		182136
Supported by:	Christoph Moench-Tegeder <cmt@burggraben.net> (fixing many ports)
Tested by:	bdrewery (two -exp runs)
1.0_5
18 Dec 2013 16:23:09
Revision:336845Original commit files touched by this commit
tijl search for other commits by this committer
USES=fortran, staging, miscellaneous cleanups.
1.0_5
26 Oct 2013 00:52:36
Revision:331644Original commit files touched by this commit
gerald search for other commits by this committer
Update to libmpc version 1.0.1 which brings the following fixes:

 - Switched to automake 1.11.6, see CVE-2012-3386.
 - #14669: Fixed extraction of CC from gmp.h.
 - Fixed case of intermediate zero real or imaginary part in mpc_fma,
   found by hydra with GMP_CHECK_RANDOMIZE=1346362345.

This is on top of the following changes from version 1.0

 - Licence change towards LGPLv3+ for the code and GFDLv1.3+ (with no
   invariant sections) for the documentation.
 - 100% of all lines are covered by tests
 - Renamed functions
   . mpc_mul_2exp to mpc_mul_2ui
   . mpc_div_2exp to mpc_div_2ui
(Only the first 15 lines of the commit message are shown above View all of this commit message)
1.0_4
20 Sep 2013 15:55:44
Revision:327709Original commit files touched by this commit
bapt search for other commits by this committer
Add NO_STAGE all over the place in preparation for the staging support (cat:
biology)
1.0_4
19 Jun 2013 19:54:14
Revision:321315Original commit files touched by this commit
bsam search for other commits by this committer
. NOPORTDOCS -> PORT_OPTIONS:MDOCS;
. mute mdir commands and unmute install commands;
. do not use mkdir for parent directories (mkdir implies "-p");
. introduce EXAMPLE option (do not install examples to DOCSDIR);
. bump PORTREVISION;
. make use of PLIST_FILES, PORTDOCS and PORTEXAMPLES at Makefile;
. get rid of pkg-plist;
. use standard DOCSDIR and EXAMPLESDIR (instead of a PREFIX/foo/bar path);
. trim Makefile headers.
1.0_3
19 Mar 2011 12:38:54
Original commit files touched by this commit
miwi search for other commits by this committer
- Get Rid MD5 support
1.0_3
13 Sep 2009 00:08:01
Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now
implies lang/gcc44 up from lang/gcc43.

Approved by:    portmgr
1.0_2
07 Jan 2009 16:34:27
Original commit files touched by this commit
gerald search for other commits by this committer
Bump PORTREVISION due to change of USE_FORTRAN=yes to GCC 4.3.
1.0_1
12 Jul 2007 06:41:22
Original commit files touched by this commit
maho search for other commits by this committer
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
1.0_1
29 Jan 2007 02:13:52
Original commit files touched by this commit
maho search for other commits by this committer
Build fix.

Submitted by:   kris via pointyhat and pav.
1.0_1
19 Jan 2007 02:19:06
Original commit files touched by this commit
maho search for other commits by this committer
Forgot to commit a patch. Fixes build.

Submitted by:   kris via pointyhat.
1.0_1
16 Jan 2007 04:41:41
Original commit files touched by this commit
maho search for other commits by this committer
* Migrate to gfortran.
* Bump port revision.
* fix build [1].

Submitted by:   kris [1]
1.0
09 Jan 2007 02:37:43
Original commit files touched by this commit
maho search for other commits by this committer
* Add dummy knob WANT_FORTRAN for future gfortran
  migration. currently it is not buildable with gfrotran42.
* Honor FC and FFLAGS.
1.0
05 Apr 2006 06:13:46
Original commit files touched by this commit
linimon search for other commits by this committer
Reset rmiya@cc.hirosaki-u.ac.jp who has not responded to email asking about
maintainer timeouts.

Hat:    portmgr
1.0
22 Jan 2006 08:20:34
Original commit files touched by this commit
edwin search for other commits by this committer
SHA256ify

Approved by:    krion@
1.0
23 May 2004 07:36:35
Original commit files touched by this commit
krion search for other commits by this committer
- Fix MASTER_SITES

PR:             ports/67045
Submitted by:   Stefan Walter <sw@gegenunendlich.de>
1.0
31 Mar 2004 03:12:58
Original commit files touched by this commit
trevor search for other commits by this committer
SIZEify (maintainer timeout)
1.0
21 Feb 2004 21:48:55
Original commit files touched by this commit
kris search for other commits by this committer
BROKEN: Does not fetch
1.0
22 Oct 2003 09:29:55
Original commit files touched by this commit
osa search for other commits by this committer
Cosmetic fix: use %%DOCSDIR%% macro.
No functionally changes.

Submitted by:   Oleg Karachevtsev <ok@etrust.ru>
A part of PR:   57992
1.0
21 Feb 2003 11:01:38
Original commit files touched by this commit
knu search for other commits by this committer
De-pkg-comment.
22 Oct 2001 07:36:14
commit hash: fp1.19962@dev.null.freshports.orgcommit hash: fp1.19962@dev.null.freshports.orgcommit hash: fp1.19962@dev.null.freshports.orgcommit hash: fp1.19962@dev.null.freshports.org files touched by this commit
ijliao search for other commits by this committer
update WWW and master site    
08 Jul 2001 19:15:34
commit hash: fp1.15991@dev.null.freshports.orgcommit hash: fp1.15991@dev.null.freshports.orgcommit hash: fp1.15991@dev.null.freshports.orgcommit hash: fp1.15991@dev.null.freshports.org files touched by this commit
ijliao search for other commits by this committer
Add NOPORTDOCS support to pkg-plist    
09 Mar 2001 12:14:23
commit hash: fp1.10536@dev.null.freshports.orgcommit hash: fp1.10536@dev.null.freshports.orgcommit hash: fp1.10536@dev.null.freshports.orgcommit hash: fp1.10536@dev.null.freshports.org files touched by this commit
sf search for other commits by this committer
fix WWW:    
08 Oct 2000 00:23:30
commit hash: fp1.4706@dev.null.freshports.orgcommit hash: fp1.4706@dev.null.freshports.orgcommit hash: fp1.4706@dev.null.freshports.orgcommit hash: fp1.4706@dev.null.freshports.org files touched by this commit
asami search for other commits by this committer
Convert category biology to new layout.  

Number of commits found: 44