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5175 Commits

Author SHA1 Message Date
Sunpoet Po-Chuan Hsieh
cb333cf1ec Move devel/swig30 to devel/swig and update to 4.0.1 
- Do not silence installation message
- Update dependent ports:
  - Fix build with swig 4.0.1
  - Update *_DEPENDS
  - Remove BINARY_ALIAS

Changes:	http://www.swig.org/news.php
PR:		246613
Exp-run by:	antoine
 2020-06-17 18:17:45 +00:00
Dmitry Marakasov
92871ce39e - Update WWW 
Approved by:	portmgr blanket
 2020-06-17 09:35:01 +00:00
Yuri Victorovich
a313d407ec science/votca: Revert unintended changes 2020-06-17 01:57:29 +00:00
Yuri Victorovich
5872190348 science/votca: Broken on i386 
Reported by:	fallout
 2020-06-17 01:54:25 +00:00
Yuri Victorovich
657e019612 science/py-phonopy: Update 2.4.2 -> 2.5.0 
Reported by:	portscout
 2020-06-16 16:11:36 +00:00
Fernando Apesteguía
f4083dd12a science/afni: update to 20.1.15 
Reported by:	portscout
 2020-06-16 06:31:27 +00:00
Yuri Victorovich
741be9dea7 science/py-phonopy: Update 2.3.0 -> 2.4.2 2020-06-16 02:03:10 +00:00
Yuri Victorovich
2df5121221 science/lammps: Update 2Jun2020 -> 15Jun2020 
Reported by:	GitHub notification
 2020-06-15 23:33:13 +00:00
Johannes M Dieterich
4d80ac3f0d science/xtb: update to release 6.3.1 
various correctness bugfixes, especially for GFN-FF
 2020-06-15 23:23:15 +00:00
Yuri Victorovich
af89163268 science/jdftx: Update 1.5.0 -> 1.6.0 
Reported by:	portscout
 2020-06-15 20:29:51 +00:00
Yuri Victorovich
5c43c52215 devel/docopt.cpp: Update 0.6.2-6 -> 0.6.3 
Reported by:	portscout
 2020-06-15 16:03:56 +00:00
Thierry Thomas
7a64ce1b71 Upgrade to v6.1.1 and add Scotch´s support. 2020-06-15 16:02:40 +00:00
Yuri Victorovich
b2238ef2a3 science/agrum: Update 0.17.3 -> 0.18.0 2020-06-15 08:26:22 +00:00
Yuri Victorovich
e2435fdf69 science/hepmc3: Update science/hepmc3: Update 3.2.1 -> 3.2.2 
Reported by:	portscout
 2020-06-15 04:02:53 +00:00
Yuri Victorovich
2fa0cd5e9d Update science/qbox: 1.71.2 -> 1.71.3 
Reported by:	portscout
 2020-06-15 02:53:07 +00:00
Sunpoet Po-Chuan Hsieh
70c3cafabf Update to 2.30 
- Update MASTER_SITES
- Add my LOCAL to MASTER_SITES
- Remove DOCS and OPTIMIZED_CFLAGS options
- Update pkg-descr
- Update WWW
- Take maintainership

Changes:	https://github.com/cjlin1/liblinear/commits/master
 2020-06-14 14:22:35 +00:00
TAKATSU Tomonari
567b480b51 - Update to 2.2-10 2020-06-14 12:16:54 +00:00
Thierry Thomas
d7625a0297 Chase ScaLAPACK´s upgrade and resolve conflict between cblas and openblas. 
Approved by:	yuri (maintainer)
 2020-06-14 09:14:03 +00:00
Antoine Brodin
ae73d29444 Unbreak bulk -a 2020-06-13 15:05:44 +00:00
Tobias C. Berner
b7a0bda704 Update KDE's Application (release-service) to 20.04.2 2020-06-13 08:14:07 +00:00
Fernando Apesteguía
8490de4e4e science/afni: Update to 20.1.14 
Reported by:	portscout
 2020-06-12 09:25:01 +00:00
Mark Linimon
15f2a93a40 Add compiler:c++11-lang to USES to fix build on GCC-based systems: 
Unsupported compiler -- pybind11 requires C++11 support!

Submitted by:	portmgr (tier-2 blanket)
 2020-06-11 11:46:10 +00:00
Stephen Montgomery-Smith
7d875ed6da - Update devel/gdcm to 3.0.6. 
- Bump portrevision of dependent ports.
 2020-06-10 19:20:31 +00:00
Yuri Victorovich
3c860dcbb4 science/pagmo2: Update 2.11.4 -> 2.15.0-90 
Reported by:	portscout
 2020-06-10 16:05:16 +00:00
Antoine Brodin
b90863c551 Mark MAKE_JOBS_UNSAFE 
Reported by:	pkg-fallout
 2020-06-10 05:22:13 +00:00
Yuri Victorovich
4b9dc78377 science/qbox: Update 1.71.1 -> 1.71.2 
Reported by:	portscout
 2020-06-09 23:43:30 +00:00
Yuri Victorovich
6c3fc22c19 New port: science/py-pygmo2: Python platform to perform parallel computations of optimisation tasks 2020-06-09 18:53:01 +00:00
Yuri Victorovich
fee82af7b7 science/qiskit-aer: Update 0.5.1 -> 0.5.2 
Reported by:	portscout
 2020-06-06 04:41:55 +00:00
Fernando Apesteguía
0ba90a8f6b science/afni: update to 20.1.13 
Reported by:	portscout
 2020-06-04 16:49:57 +00:00
Sunpoet Po-Chuan Hsieh
1c489784e1 Bump PORTREVISION for devel/protobuf shlib change 2020-06-03 18:32:05 +00:00
Fernando Apesteguía
7242c635b7 science/afni: update to 20.1.12 
Reported by:	portscout
 2020-06-03 14:44:25 +00:00
Yuri Victorovich
79c4792ad0 science/lammps: Update 5May2020 -> 2Jun2020 
Reported by:	GitHub notification
 2020-06-02 02:49:07 +00:00
Danilo G. Baio
1bcabc8d45 math/py-seaborn: Update to 0.10.1 
Update consumer (science/py-abipy) to use Python >= 3.6
(avoid break bulk -a).

PR:		246858
Submitted by:	Shane <FreeBSD@ShaneWare.Biz> (maintainer)
 2020-05-31 21:03:37 +00:00
Tobias C. Berner
22cc11da1a science/pulseview: prepare for Qt5-5.15 2020-05-30 10:09:51 +00:00
Yuri Victorovich
b2f1b039bc science/py-spglib: Update 1.14.1 -> 1.15.1 2020-05-30 09:17:34 +00:00
Yuri Victorovich
80ea733f4b science/py-chempy: Update 0.7.10 -> 0.7.11 
Reported by:	portscout
 2020-05-30 07:28:06 +00:00
Yuri Victorovich
7e3711f6b4 science/py-abipy: Update 0.7.0 -> 0.8.0 
Reported by:	portscout
 2020-05-30 07:25:19 +00:00
Yuri Victorovich
fe6cef2b8e science/simgrid: Update 3.24 -> 3.25 2020-05-30 06:16:04 +00:00
Yuri Victorovich
841d4e9836 science/spglib: Update 1.12.2 -> 1.15.1 2020-05-30 05:58:05 +00:00
Tobias Kortkamp
c7259fc4f0 Clean up some things 
Reported by:	portscan
 2020-05-30 00:57:02 +00:00
Fernando Apesteguía
4feaac1390 science/afni: update to 20.1.11 
Reported by:	portscout
 2020-05-29 15:20:44 +00:00
Antoine Brodin
481ffd41c1 pymol fails to build with python 2.7 
Reported by:	pkg-fallout
 2020-05-29 08:42:46 +00:00
Antoine Brodin
0f54fba793 Mark BROKEN: fails to build 
m_polynomial_coeff.F90:2883:67:

 2800 |    do icoeff1=icoeff,ncoeff+nstr
      |                                2
......
 2883 | &                                     index_coeff,list_combination,icoeff1,max_power_strain,&
      |                                                                   1
Error: Variable 'icoeff1' at (1) not definable inside loop beginning at (2) as INTENT(INOUT) argument to subroutine 'computecombinationfromlist'
m_polynomial_coeff.F90:2643:26:

 2553 |    do icoeff1=icoeff,ncoeff+nstr
      |                                2
......
 2643 | &                         icoeff1,icoeff_tot,natom,ncoeff,nstr,ncoeff_out,nrpt,nsym,power_disp+1,&
      |                          1
Error: Variable 'icoeff1' at (1) not definable inside loop beginning at (2) as INTENT(INOUT) argument to subroutine 'computenorder'

Reported by:	pkg-fallout
 2020-05-29 08:38:54 +00:00
Yuri Victorovich
f49a36ccfb science/py-PyFR: Update 1.9.0 -> 1.10.0 
Reported by:	portscout
 2020-05-29 05:48:10 +00:00
Yuri Victorovich
85535b1373 science/py-moltemplate: Update 2.17.7 -> 2.17.8 
Reported by:	portscout
 2020-05-29 05:30:36 +00:00
Johannes M Dieterich
2faf2ce076 new port: science/xtb 
xtb is a semiempirical extended tight-binding program package with
application in computational chemistry and matrials science.

Port is configured to use OpenBLAS to facilitate performance.

WWW: https://github.com/grimme-lab/xtb
 2020-05-28 22:05:42 +00:00
Yuri Victorovich
0ecf59b68a science/jmol: Update 14.30.2 -> 14.31.0 
Reported by:	portscout
 2020-05-28 17:29:56 +00:00
Alexey Dokuchaev
2c4b1d164e Sanitize COMMENT per Section 5.6 of the FreeBSD Porter's Handbook (part 6). 2020-05-28 08:43:29 +00:00
Yuri Victorovich
4ee50fd119 science/jmol: Add JSmol (Java viewer for chemical structures in 3D) as a port option 
PR:		246703
Submitted by:	thierry
 2020-05-27 20:31:24 +00:00
Max Brazhnikov
02c6c42469 science/scidavis: 
- Update to 2.2.0
- Reformat long lines in the description
 2020-05-27 20:10:56 +00:00