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5362 commits

Author SHA1 Message Date
Kurt Jaeger
21d47072c6 science/chemtool-devel: replace transfig with fig2dev 2020-10-18 20:10:56 +00:00
Yuri Victorovich
ee9fce3f81 science/chemtool: Update dependency transfig:print/transfig -> fig2dev:print/fig2dev 
Requested by:	pi (via e-mail)
 2020-10-18 17:53:03 +00:00
TAKATSU Tomonari
664201e13b - Update to 1.7-4 2020-10-17 14:19:29 +00:00
Yuri Victorovich
631b91f7ad science/py-moltemplate: Update 2.18.8 -> 2.18.9 
Reported by:	portscout
 2020-10-17 01:31:12 +00:00
Yuri Victorovich
2f3524c7dd science/py-moltemplat: Update 2.18.7 -> 2.18.8 
Reported by:	portscout
 2020-10-15 22:39:49 +00:00
Yuri Victorovich
28f40ea681 science/smoldyn: Update 2.61 -> 2.62 
Reported by:	portscout
 2020-10-15 22:37:53 +00:00
Yuri Victorovich
194da51b26 science/nwchem: Update 7.0.1 -> 7.0.2 
Reported by:	portscout
 2020-10-15 06:41:02 +00:00
Mark Linimon
528f9b9845 Mark DEPRECATED: MASTERSITE is gone. As well, the pkg-descr WWW is gone. 
This was found while investigating the status of openmpi3.  This port is
one of the last two consumers in the tree.  openmpi3 has been superceded
by the current openmpi port.
 2020-10-14 20:38:48 +00:00
Antoine Brodin
604f4a294f Fix DEPENDS 2020-10-14 17:54:50 +00:00
Yuri Victorovich
cf24b2c4e1 science/nwchem-data: Update 7.0.1 -> 7.0.2 
Reported by:	portscout
 2020-10-14 08:19:21 +00:00
Yuri Victorovich
cc1bf66d14 science/maeparser: Update 1.2.3 -> 1.2.4 
Reported by:	portscout
 2020-10-14 08:15:26 +00:00
Yuri Victorovich
cdf3f952be science/coordgenlibs: Update 1.4.1 -> 1.4.2 
Reported by:	portscout
 2020-10-14 08:11:18 +00:00
Yuri Victorovich
07fb7ae9af science/libgridxc: Unbreak build by disabling the option that breaks 
MFH:		2020Q4
 2020-10-13 05:55:28 +00:00
Yuri Victorovich
f15894bbd8 science/octopus: Update 9.2 -> 10.1 2020-10-13 05:36:02 +00:00
Yuri Victorovich
b64c900841 science/jmol: Update 14.31.9 -> 14.31.10 
Reported by:	portscout
 2020-10-12 23:36:07 +00:00
Yuri Victorovich
0395c114f0 science/py-phonopy: Update 2.8.0 -> 2.8.1 
Reported by:	portscout
 2020-10-12 04:37:49 +00:00
Yuri Victorovich
e2de7caf68 science/py-moltemplate: Update 2.18.6 -> 2.18.7 
Reported by:	portscout
 2020-10-12 01:07:01 +00:00
Yuri Victorovich
69e3dd17ea science/gromacs: Update 2020.3 -> 2020.4 
Reported by:	portscout
 2020-10-12 00:52:42 +00:00
Sunpoet Po-Chuan Hsieh
20ee5bfc97 Update to 2.0.1 
Changes:	https://github.com/rgeo/rgeo-proj4/commits/master
 2020-10-10 18:00:24 +00:00
Tobias C. Berner
fdce4e306f KDE Release Service 20.08.2 update 
Dozens of KDE apps are getting new releases from KDE’s release service. New
features, usability improvements, re-designs and bug fixes all contribute to
helping boost your productivity and making this new batch of applications more
efficient and pleasant to use.
 2020-10-10 14:17:23 +00:00
Sunpoet Po-Chuan Hsieh
be2abb3fe8 Use the release tag instead of commit hash 2020-10-10 07:44:37 +00:00
Yuri Victorovich
38d01d4f0b science/nwchem: Update 7.0.0 -> 7.0.1 
Also update WWW.

Reported by:	portscout
 2020-10-09 20:20:01 +00:00
Yuri Victorovich
54cb9a0888 science/nwchem-data: Update 7.0.0 -> 7.0.1 
Also update WWW.

Reported by:	portscout
 2020-10-09 20:18:56 +00:00
Yuri Victorovich
ef8baab3dc New port: science/axom: Infrastructure for development of multi-physics applications and tools 2020-10-09 03:42:21 +00:00
Yuri Victorovich
3742908184 New port: science/conduit: Simplified data exchange for HPC simulations 2020-10-08 19:30:08 +00:00
Wen Heping
54f7df01c6 - Update to 2.0.0 2020-10-07 10:52:20 +00:00
Yuri Victorovich
d32ee7c21d science/libcint: Update 4.0.1 -> 4.0.2 
Reported by:	portscout
 2020-10-05 16:55:08 +00:00
Loïc Bartoletti
2933bb22c3 Update PyQt to 5.15.0, py-sip to 4.19.24 and qscintilla2 to 2.11.5 
- Update PyQt to 5.15.0, py-sip to 4.19.24 and qscintilla2 to 2.11.5
- Use pypi for PYQT [1]
- Add devel/py-qt5-sip (Don't use it for now. It will be used in future updates of PyQt with py-sip >= 5)
- Add missing py-qt5 ports: comms/py-qt5-sensors, devel/py-qt5-location, devel/py-qt5-remoteobjects, net/py-qt5-networkauth
- Strip libs
- Refactor *_PATH and *_PORT parts

[1] RiverBankComputing doesn't offer links to download latest version of some ports

PR:		247369
Reviewed by:	tcberner
Differential Revision:	https://reviews.freebsd.org/D25749
Exp-run by:	antoine
 2020-10-05 15:50:03 +00:00
Yuri Victorovich
18ab823177 science/py-qcengine: Update 0.16.0 -> 0.17.0 
Reported by:	portscout
 2020-10-04 19:57:59 +00:00
Yuri Victorovich
2db56ab5b8 science/py-qcelemental: Update 0.16.0 -> 0.17.0 
Reported by:	portscout
 2020-10-04 19:57:16 +00:00
Yuri Victorovich
8683a7e490 science/libcint: Update 3.1.1 -> 4.0.1 
Reported by:	portscout
 2020-10-04 19:56:12 +00:00
Fernando Apesteguía
558a90b823 science/afni: update to 20.3.00 
Reported by:	portscout
 2020-10-04 12:07:53 +00:00
Yuri Victorovich
49bfa9c587 science/jmol: Update 14.31.8 -> 14.31.9 
Reported by:	portscout
 2020-10-03 04:26:07 +00:00
Sunpoet Po-Chuan Hsieh
e5d3c38081 Update to 4.3.3 
Changes:	https://github.com/levitsky/pyteomics/releases
		https://pyteomics.readthedocs.io/en/latest/changelog.html
 2020-10-02 07:31:11 +00:00
Fernando Apesteguía
172dd48ed6 science/afni: update to 20.2.19 
Reported by:	portscout
 2020-09-30 11:11:44 +00:00
Yuri Victorovich
c24bd1e66d science/jmol: Update 14.31.7 -> 14.31.8 
Reported by:	portscout
 2020-09-29 08:25:14 +00:00
Yuri Victorovich
25748eac75 science/py-moltemplate: Update 2.18.3 -> 2.18.6 
Reported by:	portscout
 2020-09-29 08:19:32 +00:00
Max Brazhnikov
077da206b3 science/py-openpiv: update to 0.22.3 2020-09-28 21:18:16 +00:00
Danilo G. Baio
2781b9cadd science/silo: Backport of patches from Debian to support Python 3 
Obtained from:	https://salsa.debian.org/science-team/silo-llnl/-/blob/debian/master/debian/patches/python3.patch
		https://salsa.debian.org/science-team/silo-llnl/-/blob/debian/master/debian/patches/python3.8.patch

PR:	249759
Reported by:	swills
 2020-09-27 11:32:55 +00:00
Max Brazhnikov
3345a677cb Force to rebuild after math/matio update 2020-09-26 16:30:14 +00:00
Yuri Victorovich
baa91f3f13 science/qbox: Update 1.71.5 -> 1.72.0 
Reported by:	portscout
 2020-09-25 19:01:45 +00:00
Yuri Victorovich
aad41a698c science/hypre: Update 2.19.0 -> 2.20.0 
Reported by:	portscout
 2020-09-25 19:01:00 +00:00
Wen Heping
427dc943c5 - Update to 4.2.0 
- Update MASTER_SITES
- Switch to python3
 2020-09-25 03:11:49 +00:00
Tobias Kortkamp
963d53af82 Clean up some things 
Reported by:	portscan
 2020-09-24 08:50:25 +00:00
Yuri Victorovich
9ee1e9ba31 science/qbox: Update 1.71.4 -> 1.71.5 
Reported by:	portscout
 2020-09-24 01:10:27 +00:00
Yuri Victorovich
4ee965c8ef science/py-phonopy: Update 2.7.1 -> 2.8.0 
Reported by:	portscout
 2020-09-24 01:03:56 +00:00
Yuri Victorovich
5680810c68 science/jmol: Update 14.31.6 -> 14.31.7 
Reported by:	portscout
 2020-09-23 23:55:58 +00:00
Mateusz Piotrowski
b6cc085dce Fix compilation on i386 
The error was:

  In file included from lbfgs.cpp:29:
  ./common.h:216:18: error: class member cannot be redeclared
    string_buffer& operator<<(size_t _n)             { _UITOA(_n); }
                   ^
  ./common.h:214:18: note: previous definition is here
    string_buffer& operator<<(unsigned int _n)       { _UITOA(_n); }
                   ^
 2020-09-22 21:17:33 +00:00
Mateusz Piotrowski
6df5387bc4 Update to 0.59 (latest commit) 
- Change MASTER_SITES to GitHub, where upstream moved
- Apply some patches from the GitHub Pull Requests to make the port build
  (upstream seems to lost some files while migrating to GitHub) and patch
  some bugs
- Set licenses
- Upstream does not tag releases on GitHub, so it's all guessing what the
  real version is. 0.59 is what I found in the source code.
- Install examples; they are useful to test if the port is working
- Remove old patches, they are no longer needed
- Update WWW
 2020-09-22 20:43:19 +00:00
Fernando Apesteguía
fff3151ede science/afni: update to 20.2.18 
Reported by:	portscout
 2020-09-22 17:43:08 +00:00