![[BACK]](/icons/back.gif){kind=icon}
Up to [cvs.NetBSD.org] / pkgsrc / misc / molden
Request diff between arbitrary revisions
Default branch: MAIN
Revision 1.35, Sat Apr 24 08:47:53 2021 UTC (22 months, 4 weeks ago) by wiz
Branch: MAIN
CVS Tags: HEAD
Changes since 1.34: +1 -1
lines
FILE REMOVED
molden: remove Upstream website gone, the distfile was not re-distributable, and noone had updated it since 2007.
Revision 1.34 / (download) - annotate - [select for diffs], Sun Nov 3 17:04:24 2019 UTC (3 years, 4 months ago) by rillig
Branch: MAIN
CVS Tags: pkgsrc-2021Q1-base,
pkgsrc-2021Q1,
pkgsrc-2020Q4-base,
pkgsrc-2020Q4,
pkgsrc-2020Q3-base,
pkgsrc-2020Q3,
pkgsrc-2020Q2-base,
pkgsrc-2020Q2,
pkgsrc-2020Q1-base,
pkgsrc-2020Q1,
pkgsrc-2019Q4-base,
pkgsrc-2019Q4
Changes since 1.33: +2 -2
lines
Diff to previous 1.33 (colored)
misc: align variable assignments pkglint -Wall -F --only aligned --only indent -r No manual corrections.
Revision 1.33 / (download) - annotate - [select for diffs], Sat Apr 25 14:23:36 2015 UTC (7 years, 10 months ago) by tnn
Branch: MAIN
CVS Tags: pkgsrc-2019Q3-base,
pkgsrc-2019Q3,
pkgsrc-2019Q2-base,
pkgsrc-2019Q2,
pkgsrc-2019Q1-base,
pkgsrc-2019Q1,
pkgsrc-2018Q4-base,
pkgsrc-2018Q4,
pkgsrc-2018Q3-base,
pkgsrc-2018Q3,
pkgsrc-2018Q2-base,
pkgsrc-2018Q2,
pkgsrc-2018Q1-base,
pkgsrc-2018Q1,
pkgsrc-2017Q4-base,
pkgsrc-2017Q4,
pkgsrc-2017Q3-base,
pkgsrc-2017Q3,
pkgsrc-2017Q2-base,
pkgsrc-2017Q2,
pkgsrc-2017Q1-base,
pkgsrc-2017Q1,
pkgsrc-2016Q4-base,
pkgsrc-2016Q4,
pkgsrc-2016Q3-base,
pkgsrc-2016Q3,
pkgsrc-2016Q2-base,
pkgsrc-2016Q2,
pkgsrc-2016Q1-base,
pkgsrc-2016Q1,
pkgsrc-2015Q4-base,
pkgsrc-2015Q4,
pkgsrc-2015Q3-base,
pkgsrc-2015Q3,
pkgsrc-2015Q2-base,
pkgsrc-2015Q2
Changes since 1.32: +2 -2
lines
Diff to previous 1.32 (colored)
Recursive revbump following MesaLib update, categories g through n.
Revision 1.32 / (download) - annotate - [select for diffs], Sat Mar 21 19:27:23 2015 UTC (8 years ago) by joerg
Branch: MAIN
CVS Tags: pkgsrc-2015Q1-base,
pkgsrc-2015Q1
Changes since 1.31: +6 -1
lines
Diff to previous 1.31 (colored)
Don't care about using plain return in K&R function for clang.
Revision 1.31 / (download) - annotate - [select for diffs], Thu Oct 9 14:06:42 2014 UTC (8 years, 5 months ago) by wiz
Branch: MAIN
CVS Tags: pkgsrc-2014Q4-base,
pkgsrc-2014Q4
Changes since 1.30: +1 -2
lines
Diff to previous 1.30 (colored)
Remove pkgviews: don't set PKG_INSTALLATION_TYPES in Makefiles.
Revision 1.30 / (download) - annotate - [select for diffs], Wed Jun 25 08:45:23 2014 UTC (8 years, 8 months ago) by jperkin
Branch: MAIN
CVS Tags: pkgsrc-2014Q3-base,
pkgsrc-2014Q3,
pkgsrc-2014Q2-base,
pkgsrc-2014Q2
Changes since 1.29: +3 -3
lines
Diff to previous 1.29 (colored)
Fix URLs. Bump PKGREVISION.
Revision 1.29 / (download) - annotate - [select for diffs], Sat Apr 6 13:01:26 2013 UTC (9 years, 11 months ago) by rodent
Branch: MAIN
CVS Tags: pkgsrc-2014Q1-base,
pkgsrc-2014Q1,
pkgsrc-2013Q4-base,
pkgsrc-2013Q4,
pkgsrc-2013Q3-base,
pkgsrc-2013Q3,
pkgsrc-2013Q2-base,
pkgsrc-2013Q2
Changes since 1.28: +1 -2
lines
Diff to previous 1.28 (colored)
'EXTRACT_SUFX is ".tar.gz" by default, so this definition may be redundant.' - It was. Removed.
Revision 1.28 / (download) - annotate - [select for diffs], Mon Oct 8 09:57:30 2012 UTC (10 years, 5 months ago) by asau
Branch: MAIN
CVS Tags: pkgsrc-2013Q1-base,
pkgsrc-2013Q1,
pkgsrc-2012Q4-base,
pkgsrc-2012Q4
Changes since 1.27: +1 -2
lines
Diff to previous 1.27 (colored)
Drop PKG_DESTDIR_SUPPORT setting, "user-destdir" is default these days.
Revision 1.27 / (download) - annotate - [select for diffs], Sun May 20 06:45:54 2012 UTC (10 years, 10 months ago) by marino
Branch: MAIN
CVS Tags: pkgsrc-2012Q3-base,
pkgsrc-2012Q3,
pkgsrc-2012Q2-base,
pkgsrc-2012Q2
Changes since 1.26: +2 -1
lines
Diff to previous 1.26 (colored)
misc/molden: use DIST_SUBDIR after distinfo regeneration
Revision 1.26 / (download) - annotate - [select for diffs], Fri Jul 30 10:36:33 2010 UTC (12 years, 7 months ago) by asau
Branch: MAIN
CVS Tags: pkgsrc-2012Q1-base,
pkgsrc-2012Q1,
pkgsrc-2011Q4-base,
pkgsrc-2011Q4,
pkgsrc-2011Q3-base,
pkgsrc-2011Q3,
pkgsrc-2011Q2-base,
pkgsrc-2011Q2,
pkgsrc-2011Q1-base,
pkgsrc-2011Q1,
pkgsrc-2010Q4-base,
pkgsrc-2010Q4,
pkgsrc-2010Q3-base,
pkgsrc-2010Q3
Changes since 1.25: +2 -2
lines
Diff to previous 1.25 (colored)
"fortran" -> "fortran77" except where it is clear that it isn't F77. "fortran" is alias of "fortran77" for now, but it will change later.
Revision 1.25 / (download) - annotate - [select for diffs], Thu Dec 3 13:06:55 2009 UTC (13 years, 3 months ago) by asau
Branch: MAIN
CVS Tags: pkgsrc-2010Q2-base,
pkgsrc-2010Q2,
pkgsrc-2010Q1-base,
pkgsrc-2010Q1,
pkgsrc-2009Q4-base,
pkgsrc-2009Q4
Changes since 1.24: +2 -1
lines
Diff to previous 1.24 (colored)
Follow f2c/libf2c split: bump revision of all packages that list Fortran in used languages.
Revision 1.24 / (download) - annotate - [select for diffs], Tue May 19 08:59:24 2009 UTC (13 years, 10 months ago) by wiz
Branch: MAIN
CVS Tags: pkgsrc-2009Q3-base,
pkgsrc-2009Q3,
pkgsrc-2009Q2-base,
pkgsrc-2009Q2
Changes since 1.23: +8 -8
lines
Diff to previous 1.23 (colored)
Use standard location for LICENSE line (in MAINTAINER/HOMEPAGE/COMMENT block). Uncomment some commented out LICENSE lines while here.
Revision 1.23 / (download) - annotate - [select for diffs], Tue Feb 17 13:02:20 2009 UTC (14 years, 1 month ago) by joerg
Branch: MAIN
CVS Tags: pkgsrc-2009Q1-base,
pkgsrc-2009Q1
Changes since 1.22: +2 -2
lines
Diff to previous 1.22 (colored)
Reset maintainer, mail bounced
Revision 1.22 / (download) - annotate - [select for diffs], Fri Aug 17 21:38:23 2007 UTC (15 years, 7 months ago) by joerg
Branch: MAIN
CVS Tags: pkgsrc-2008Q4-base,
pkgsrc-2008Q4,
pkgsrc-2008Q3-base,
pkgsrc-2008Q3,
pkgsrc-2008Q2-base,
pkgsrc-2008Q2,
pkgsrc-2008Q1-base,
pkgsrc-2008Q1,
pkgsrc-2007Q4-base,
pkgsrc-2007Q4,
pkgsrc-2007Q3-base,
pkgsrc-2007Q3,
cwrapper,
cube-native-xorg-base,
cube-native-xorg
Changes since 1.21: +8 -22
lines
Diff to previous 1.21 (colored)
Add DESTDIR support. Add modular Xorg support. Update to molden4.6 and remove interactive stage for fetching. Too many changes to list here, see ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/HISTORY
Revision 1.21 / (download) - annotate - [select for diffs], Thu Feb 22 19:26:50 2007 UTC (16 years, 1 month ago) by wiz
Branch: MAIN
CVS Tags: pkgsrc-2007Q2-base,
pkgsrc-2007Q2,
pkgsrc-2007Q1-base,
pkgsrc-2007Q1
Changes since 1.20: +5 -5
lines
Diff to previous 1.20 (colored)
Whitespace cleanup, courtesy of pkglint. Patch provided by Sergey Svishchev in private mail.
Revision 1.20 / (download) - annotate - [select for diffs], Wed Oct 4 21:49:19 2006 UTC (16 years, 5 months ago) by wiz
Branch: MAIN
CVS Tags: pkgsrc-2006Q4-base,
pkgsrc-2006Q4
Changes since 1.19: +3 -3
lines
Diff to previous 1.19 (colored)
Update MASTER_SITES and/or HOMEPAGE, from Sergey Svishchev.
Revision 1.19 / (download) - annotate - [select for diffs], Sat Sep 9 02:43:11 2006 UTC (16 years, 6 months ago) by obache
Branch: MAIN
CVS Tags: pkgsrc-2006Q3-base,
pkgsrc-2006Q3
Changes since 1.18: +2 -2
lines
Diff to previous 1.18 (colored)
Rename variable MAKEFILE to MAKE_FILE.
Revision 1.18 / (download) - annotate - [select for diffs], Sat Aug 26 18:35:33 2006 UTC (16 years, 6 months ago) by joerg
Branch: MAIN
Changes since 1.17: +2 -2
lines
Diff to previous 1.17 (colored)
Also has C code.
Revision 1.17 / (download) - annotate - [select for diffs], Fri Jul 21 14:04:25 2006 UTC (16 years, 8 months ago) by jlam
Branch: MAIN
Changes since 1.16: +3 -3
lines
Diff to previous 1.16 (colored)
Put back some line continuations that I deleted.
Revision 1.16 / (download) - annotate - [select for diffs], Tue Jul 18 23:27:14 2006 UTC (16 years, 8 months ago) by jlam
Branch: MAIN
Changes since 1.15: +10 -9
lines
Diff to previous 1.15 (colored)
Convert _FETCH_MESSAGE to plain old FETCH_MESSAGE. Remove _FETCH_MESSAGE processing from mk/fetch/*.mk.
Revision 1.15 / (download) - annotate - [select for diffs], Sat Apr 22 09:22:11 2006 UTC (16 years, 11 months ago) by rillig
Branch: MAIN
CVS Tags: pkgsrc-2006Q2-base,
pkgsrc-2006Q2
Changes since 1.14: +2 -2
lines
Diff to previous 1.14 (colored)
Removed the superfluous "quotes" and 'quotes' from variables that don't need them, for example RESTRICTED and SUBST_MESSAGE.*.
Revision 1.14 / (download) - annotate - [select for diffs], Sun Feb 5 23:10:12 2006 UTC (17 years, 1 month ago) by joerg
Branch: MAIN
CVS Tags: pkgsrc-2006Q1-base,
pkgsrc-2006Q1
Changes since 1.13: +2 -1
lines
Diff to previous 1.13 (colored)
Recursive revision bump / recommended bump for gettext ABI change.
Revision 1.13 / (download) - annotate - [select for diffs], Wed Jun 1 18:03:05 2005 UTC (17 years, 9 months ago) by jlam
Branch: MAIN
CVS Tags: pkgsrc-2005Q4-base,
pkgsrc-2005Q4,
pkgsrc-2005Q3-base,
pkgsrc-2005Q3,
pkgsrc-2005Q2-base,
pkgsrc-2005Q2
Changes since 1.12: +2 -2
lines
Diff to previous 1.12 (colored)
Massive cleanup of buildlink3.mk and builtin.mk files in pkgsrc.
Several changes are involved since they are all interrelated. These
changes affect about 1000 files.
The first major change is rewriting bsd.builtin.mk as well as all of
the builtin.mk files to follow the new example in bsd.builtin.mk.
The loop to include all of the builtin.mk files needed by the package
is moved from bsd.builtin.mk and into bsd.buildlink3.mk. bsd.builtin.mk
is now included by each of the individual builtin.mk files and provides
some common logic for all of the builtin.mk files. Currently, this
includes the computation for whether the native or pkgsrc version of
the package is preferred. This causes USE_BUILTIN.* to be correctly
set when one builtin.mk file includes another.
The second major change is teach the builtin.mk files to consider
files under ${LOCALBASE} to be from pkgsrc-controlled packages. Most
of the builtin.mk files test for the presence of built-in software by
checking for the existence of certain files, e.g. <pthread.h>, and we
now assume that if that file is under ${LOCALBASE}, then it must be
from pkgsrc. This modification is a nod toward LOCALBASE=/usr. The
exceptions to this new check are the X11 distribution packages, which
are handled specially as noted below.
The third major change is providing builtin.mk and version.mk files
for each of the X11 distribution packages in pkgsrc. The builtin.mk
file can detect whether the native X11 distribution is the same as
the one provided by pkgsrc, and the version.mk file computes the
version of the X11 distribution package, whether it's built-in or not.
The fourth major change is that the buildlink3.mk files for X11 packages
that install parts which are part of X11 distribution packages, e.g.
Xpm, Xcursor, etc., now use imake to query the X11 distribution for
whether the software is already provided by the X11 distribution.
This is more accurate than grepping for a symbol name in the imake
config files. Using imake required sprinkling various builtin-imake.mk
helper files into pkgsrc directories. These files are used as input
to imake since imake can't use stdin for that purpose.
The fifth major change is in how packages note that they use X11.
Instead of setting USE_X11, package Makefiles should now include
x11.buildlink3.mk instead. This causes the X11 package buildlink3
and builtin logic to be executed at the correct place for buildlink3.mk
and builtin.mk files that previously set USE_X11, and fixes packages
that relied on buildlink3.mk files to implicitly note that X11 is
needed. Package buildlink3.mk should also include x11.buildlink3.mk
when linking against the package libraries requires also linking
against the X11 libraries. Where it was obvious, redundant inclusions
of x11.buildlink3.mk have been removed.
Revision 1.12 / (download) - annotate - [select for diffs], Mon Apr 11 21:46:38 2005 UTC (17 years, 11 months ago) by tv
Branch: MAIN
Changes since 1.11: +1 -2
lines
Diff to previous 1.11 (colored)
Remove USE_BUILDLINK3 and NO_BUILDLINK; these are no longer used.
Revision 1.11 / (download) - annotate - [select for diffs], Wed Jan 12 15:32:01 2005 UTC (18 years, 2 months ago) by jlam
Branch: MAIN
CVS Tags: pkgsrc-2005Q1-base,
pkgsrc-2005Q1
Changes since 1.10: +2 -2
lines
Diff to previous 1.10 (colored)
Nuke USE_FORTRAN and bring the f2c handling within the mk/compiler
framework. The list of changes include:
* Modify compiler.mk so that "c" is always prepended to USE_LANGUAGES,
so we no longer need to say it in package Makefiles. Packages
should now append to USE_LANGUAGES instead of setting it.
* Create mk/compiler/f2c.mk which implements another pseudo-compiler
"f2c" that may be used with any C compiler backend, e.g.
PKGSRC_COMPILER= f2c ccache gcc
* Teach the various "real" compiler files, e.g., sunpro.mk, mipspro.mk,
etc., to use f2c if the native Fortran compiler isn't present.
Packages that use Fortran should now simply include the line:
USE_LANGUAGES+= fortran
in the package Makefile.
Revision 1.10 / (download) - annotate - [select for diffs], Fri Dec 3 15:15:04 2004 UTC (18 years, 3 months ago) by wiz
Branch: MAIN
CVS Tags: pkgsrc-2004Q4-base,
pkgsrc-2004Q4
Changes since 1.9: +2 -2
lines
Diff to previous 1.9 (colored)
Rename ALL_TARGET to BUILD_TARGET for consistency with other *_TARGETs. Suggested by Roland Illig, ok'd by various.
Revision 1.9 / (download) - annotate - [select for diffs], Tue Nov 30 03:41:54 2004 UTC (18 years, 3 months ago) by minskim
Branch: MAIN
Changes since 1.8: +6 -3
lines
Diff to previous 1.8 (colored)
Update molden to 4.2. Patch provided by Osamu OISHI, the MAINTAINER. Changes since 4.0: - Corrected a few fortran syntax errors, thnx to Gyepes R. - on some platforms molden would not write a z-matrix, after stating that it just did. fixed. - radical changes in the way proteins can be manipulated with the z-matrix editor - The zmatrix conversion for proteins containing nucleotides has been improved, it will now create a zmatrix. - The windows version of molden now start the opengl helper program mogl, when you click a *.ogl file in the read file window. - Now when you apply the tinker amber force, automatically the charges associated with the atoms belonging to amino acid residues are set. - Added interactive docking. - More bug fixes and improvements.
Revision 1.8 / (download) - annotate - [select for diffs], Sun Oct 3 00:13:00 2004 UTC (18 years, 5 months ago) by tv
Branch: MAIN
Changes since 1.7: +2 -1
lines
Diff to previous 1.7 (colored)
Libtool fix for PR pkg/26633, and other issues. Update libtool to 1.5.10 in the process. (More information on tech-pkg.) Bump PKGREVISION and BUILDLINK_DEPENDS of all packages using libtool and installing .la files. Bump PKGREVISION (only) of all packages depending directly on the above via a buildlink3 include.
Revision 1.7 / (download) - annotate - [select for diffs], Tue Aug 10 12:11:02 2004 UTC (18 years, 7 months ago) by agc
Branch: MAIN
CVS Tags: pkgsrc-2004Q3-base,
pkgsrc-2004Q3
Changes since 1.6: +2 -2
lines
Diff to previous 1.6 (colored)
Update molden to version 4.0 - the old distfile has gone away from the master site, and this package has an interactive fetch stage. Changes between version 3.8 and 4.0: Many bug fixes Better support for Mac OS Molden format files can now be concatenated into one file Molden now fully supports 5D and 7F orbitals Added a feature to display an interactive spectrum
Revision 1.6 / (download) - annotate - [select for diffs], Sun Apr 18 19:30:02 2004 UTC (18 years, 11 months ago) by snj
Branch: MAIN
CVS Tags: pkgsrc-2004Q2-base,
pkgsrc-2004Q2
Changes since 1.5: +3 -3
lines
Diff to previous 1.5 (colored)
Convert to buildlink3.
Revision 1.5 / (download) - annotate - [select for diffs], Mon Jul 21 17:01:18 2003 UTC (19 years, 8 months ago) by martti
Branch: MAIN
CVS Tags: pkgsrc-2004Q1-base,
pkgsrc-2004Q1,
pkgsrc-2003Q4-base,
pkgsrc-2003Q4
Changes since 1.4: +2 -2
lines
Diff to previous 1.4 (colored)
COMMENT should start with a capital letter.
Revision 1.4 / (download) - annotate - [select for diffs], Sat Mar 22 05:51:26 2003 UTC (20 years ago) by salo
Branch: MAIN
Changes since 1.3: +6 -6
lines
Diff to previous 1.3 (colored)
Update to version 3.8. Addresses PR pkg/20819 by Robert Elz. Changes: - Added the ability to write MDL mol files. - Added the ability to calculate EEM charges, a sort of gasteiger charges, by Patrick Bultinck - The reading of PDB files now handles additional Hydrogen labels The oniom stuff had a bug for the linux version, fixed. Added an update to the ONIOM window. - Complete update of the Gamess-UK dedicated code by Huub v. Dam: - Reading of SCF-convergence for CASSCF and DFT - Reading of CASSCF orbital occupancies - Support for HESSIAN jobs added - and more ... - Added support for the CPMD program Distributed with the permission of TEODORO LAINO NEST Laboratories - INFM - Scuola Normale Superiore Some work still needs to be done. - Added makefile entry for Mac OSX, thanks to Eric Brown. - Molden3.8 has support for tinker3.9, older versions of tinker are not supported (Molden3.7 support tinker3.6) (Thanks to Nicolas Ferre) - Nicolas Ferre added support for ONIOM calculations with gaussian98. - In submit gaussian window you can specify you want to write cartesian coordinates instead of z-matrix. - You can now run amber from gaussian, in the following way Read in a pdb file, click the z-matrix button and create a z-matrix, assign tinker amber atom types (the FF button) Go to submit job option gaussian, choose method "amber" "Write XYZ" form the "Gaussian Job" window. In principle this can be combined with the oniom method but this is not tested yet. - When introducing Mopac2000 support a bug was introduced which interfered with the reading of tinker xyz files, fixed.
Revision 1.3 / (download) - annotate - [select for diffs], Tue Sep 24 10:06:49 2002 UTC (20 years, 6 months ago) by jlam
Branch: MAIN
CVS Tags: netbsd-1-6-1-base,
netbsd-1-6-1
Changes since 1.2: +5 -4
lines
Diff to previous 1.2 (colored)
buildlink1 -> buildlink2
Revision 1.2 / (download) - annotate - [select for diffs], Wed Jul 17 12:54:55 2002 UTC (20 years, 8 months ago) by agc
Branch: MAIN
CVS Tags: pkgviews-base,
pkgviews,
netbsd-1-6-RELEASE-base,
netbsd-1-6
Changes since 1.1: +3 -1
lines
Diff to previous 1.1 (colored)
Mark this package as having an interactive fetch stage
Revision 1.1.1.1.2.2 / (download) - annotate - [select for diffs], Sun Jun 23 18:54:04 2002 UTC (20 years, 9 months ago) by jlam
Branch: buildlink2
Changes since 1.1.1.1.2.1: +45 -0
lines
Diff to previous 1.1.1.1.2.1 (colored) to branchpoint 1.1.1.1 (colored) next main 1.2 (colored)
Merge from pkgsrc-current to buildlink2 branch.
Revision 1.1.1.1.2.1, Fri May 31 19:15:48 2002 UTC (20 years, 9 months ago) by jlam
Branch: buildlink2
Changes since 1.1.1.1: +0 -45
lines
FILE REMOVED
file Makefile was added on branch buildlink2 on 2002-06-23 18:54:04 +0000
Revision 1.1.1.1 / (download) - annotate - [select for diffs] (vendor branch), Fri May 31 19:15:48 2002 UTC (20 years, 9 months ago) by kei
Branch: TNF
CVS Tags: pkgsrc-base,
buildlink2-base
Branch point for: buildlink2
Changes since 1.1: +0 -0
lines
Diff to previous 1.1 (colored)
Initial import of molden-3.7 to the NetBSD packages collection. MOLDEN is a package for displaying molecular density. It is tuned to the Ab Initio packages GAMESS* and GAUSSIAN. It can read all the information it needs from a GAMESS or GAUSSIAN outputfile. In this form it has been running on a CONVEX C-120, an APOLLO DN10000, an IRIS 4D/70GT, a DECSTATION 5000 and a SUN, and in slightly adapted versions on a VAX and a CRAY-YMP. It should run smoothly on most Unix machines. See section INSTALLATION GUIDE on how to install MOLDEN. (* The GAMESS version referred to here is the european version maintaned by M.F. Guest et al not to be confused with the american version maintained by M.W. Schmidt et al) This package was provided by Osamu OISHI and modified slightly by me.
Revision 1.1 / (download) - annotate - [select for diffs], Fri May 31 19:15:48 2002 UTC (20 years, 9 months ago) by kei
Branch: MAIN
Initial revision