mirror/freebsd-ports
1
0
Fork 0
mirror of https://git.FreeBSD.org/ports.git synced 2025-01-20 08:27:15 +00:00
Code Issues Releases Activity
454,756 Commits 46 Branches 101 Tags 3.4 GiB
c9df16a3a7
Commit Graph

3925 Commits

Author SHA1 Message Date
Yuri Victorovich
c9df16a3a7 science/msms: Add back NO_WRKSUBDIR 
Reported by:	mat
 2018-09-10 07:09:49 +00:00
Yuri Victorovich
82feb5323f science/vmd: Remove RESTRICTED: not required 
Reported by:	mat
Approved by:	portmgr
 2018-09-10 07:06:17 +00:00
Yuri Victorovich
b033087fb5 science/msms: Remove RESTRICTED, change LICENSE_PERMS to none 
Reported by:	mat
 2018-09-10 07:01:40 +00:00
Yuri Victorovich
439fae80e2 science/namd: Remove RESTRICTED because LICENSE_PERMS is restrictive 
Reported by:	mat
 2018-09-10 06:59:36 +00:00
Yuri Victorovich
74357c9b4f science/msms: Simplify 2018-09-10 06:07:38 +00:00
Yuri Victorovich
fb69f61156 New port: science/msms: Program to efficiently compute molecular surfaces 2018-09-10 05:53:46 +00:00
Stephen Montgomery-Smith
4302c9dd0e - Update to 3.0.1. 2018-09-09 22:46:04 +00:00
Yuri Victorovich
2104ac7ca6 science/lm: USES=python only when PYTHON=ON 2018-09-09 21:16:02 +00:00
Yuri Victorovich
526e658f29 science/vmd: License auto-accept -> no-auto-accept 
VMD license requires specific acknowledgement if VMD is used for published results, therefore no auto-accept.
 2018-09-09 21:11:41 +00:00
Yuri Victorovich
24551899fe New port: science/lm: Software for sampling trajectories of the reaction-diffusion equations 2018-09-09 20:57:26 +00:00
Yuri Victorovich
1b4b4a2174 science/vmd: Add RESTRICTED clause. 
This software comes from the University of Illinois, same as science/namd,
and is for non-commercial use only.

Also add it to ports/LEGAL.

Approved by:	portmgr blanket
 2018-09-09 18:19:16 +00:00
Yuri Victorovich
622a4efb88 science/namd: Add IGNORE clause instead of the custom do-fetch clause for the licensing warning 
Also add RESTRICTED, and remove GIT_URL.

Reported by:	mat
 2018-09-09 17:06:48 +00:00
Sunpoet Po-Chuan Hsieh
f4442471f3 Take maintainership 2018-09-09 16:59:16 +00:00
Yuri Victorovich
4ceeabbde6 science/namd: Downgrade 2-12-211 -> 2.12 
Direct fetch from the git server might be a license violation.
Will try to get an agreement from UIUC that the previous fetch can be returned.
Not adding PORTEPOCH, because it was nothing wrong technically with 2.12.211.

Suggested by:	linimon, adamw
 2018-09-09 06:18:01 +00:00
Yuri Victorovich
22dee6a0be science/namd: Change LICENSE_PERMS: no redistribution is allowed. 2018-09-09 00:57:45 +00:00
Yuri Victorovich
6baa641f2f New port: science/namd: Computer software for molecular dynamics simulation 2018-09-08 23:28:21 +00:00
Yuri Victorovich
89d1c2b62a science/metaphysicl: Update 0.3.0 -> 0.3.0.1 
Reported by:	portscout
 2018-09-08 15:21:32 +00:00
Yuri Victorovich
5ec2220721 science/metaphysicl: Update 0.2.0-23 -> 0.3.0 
Reported by:	portscout
 2018-09-07 17:06:43 +00:00
Yuri Victorovich
b03a452d5a science/mpqc: Add -lmpich to LDFLAGS: this fixes science/libghemical build 
science/libghemical was failing because libSCgroup.so needs MPI_* symbols
but wasn't linked to libmpich.so.
 2018-09-07 02:23:54 +00:00
Adriaan de Groot
023390aaa6 Update the current KDE Applications to 18.08.1, the latest release. 
https://www.kde.org/announcements/announce-applications-18.08.1.php

The release notes mention a few dozen fixes, MTP doesn't crash when
concurrently accessed by another application, nothing critical.

Submitted by:	tcberner
 2018-09-06 21:06:47 +00:00
Sunpoet Po-Chuan Hsieh
01c6c0f9f8 Update to 1.27.0 
- Update MASTER_SITES
- Update WWW

Changes:	https://confluence.ecmwf.int/display/GRIB/Latest+news
 2018-09-06 18:23:31 +00:00
Sunpoet Po-Chuan Hsieh
cf2406a087 Update MASTER_SITES and WWW 2018-09-06 18:23:25 +00:00
Yuri Victorovich
dde7024024 New port: science/lammps: Classical molecular dynamics code with a focus on materials modeling 2018-09-06 06:31:27 +00:00
Yuri Victorovich
78dd05eb3b New port: science/mdynamix: General purpose molecular dynamics code 2018-09-06 05:14:01 +00:00
Yuri Victorovich
804da08322 science/cp2k: Add multiprocessing options MPI and OPENMP_MPI 
The set of builds is defined in the project itself.
 2018-09-06 00:58:22 +00:00
Sunpoet Po-Chuan Hsieh
c548cd43e8 Update science/hdf5 to 1.10.2 
- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://portal.hdfgroup.org/display/support/HDF5%201.10.2#releasenotes
		https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.2/src/hdf5-1.10.2-RELEASE.txt
PR:		231009
Exp-run by:	antoine
 2018-09-05 22:05:23 +00:00
Yuri Victorovich
e11a6df6cf New port: science/cp2k: Quantum chemistry and solid state physics software package 2018-09-04 21:28:27 +00:00
Yuri Victorovich
019c7365ac science/atom: Corrections 
Port changes:
* Add PKGNAMESUFFIX (there's another port with the name 'atom')
* Add DIST_SUBDIR (same reason)
* Remove duplication from LICENSE_PERMS
* Remove NO_PACKAGE (it is handled by license framework)

Reported by:	mat (NO_PACKAGE removal)
 2018-09-04 16:42:27 +00:00
Yuri Victorovich
b34d0ab7f7 New port: science/atom: Program for DFT calculations in atoms 2018-09-04 15:05:19 +00:00
Yuri Victorovich
ab342e2c5d New port: science/libgridxc: Library to compute the exchange and correlation energy and potentials 2018-09-04 15:03:13 +00:00
Yuri Victorovich
8a2ebb0a3b Remove science/mpqc-mpich: Enable MPI option in science/mpqc by default 
* MPICH option in science/mpqc is renamed to MPI, because MPI exists in many other
  ports and there's MPI_DESC predefined for it.
* MPI option in science/mpqc is made default.
 2018-09-04 06:07:39 +00:00
Yuri Victorovich
0e2e493ea3 New port: science/siesta: Program to perform efficient electronic structure calculations 2018-09-03 17:51:32 +00:00
Jason E. Hale
aadd47c560 Fix build with Qt 5.11 
PR:		230884
Obtained from:	upstream
 2018-09-03 07:55:06 +00:00
Yuri Victorovich
9c5a66afc9 science/fleur: Add the forgotten patches. 2018-09-03 07:35:04 +00:00
Yuri Victorovich
9ae981877f science/fleur: Add WANNIER option to use Wannier library 2018-09-03 04:10:18 +00:00
Yuri Victorovich
cf616d766d New port: science/wannier90: Maximally-localized Wannier functions (MLWFs) and Wannier90 2018-09-03 04:09:00 +00:00
Yuri Victorovich
f89eb2e57a science/fleur: Add port options for libraries: mpi, scalapack, elpa, hdf5 2018-09-03 01:09:21 +00:00
Yuri Victorovich
707db3a7fd New port: science/fleur: FLAPW code for atomic computations in quantum chemistry and physics 2018-09-02 21:10:29 +00:00
Yuri Victorovich
03298d48f9 science/dalton: Fix license. 2018-09-02 07:53:31 +00:00
Yuri Victorovich
35274f4e6f New port: science/dalton: Powerful molecular electronic structure program for quantum chemistry 2018-09-02 07:49:02 +00:00
Yuri Victorovich
859a120826 New port: science/teem: Libraries for representing, processing and visualizing scientific data 2018-09-02 06:43:29 +00:00
Yuri Victorovich
454fe19e77 science/jdftxL Update 1.4.2-73 -> 1.4.2-74 
* The upstream implemented the 'install' target
* Add OCTAVE option for one script
 2018-09-01 19:10:46 +00:00
Yuri Victorovich
56a54e552d science/nwchem: Add build-time python dependency 2018-09-01 18:39:48 +00:00
Yuri Victorovich
70dd01bab5 New port: science/py-gpaw: DFT and beyond within the projector-augmented wave method in chemistry 2018-09-01 18:31:54 +00:00
Yuri Victorovich
6eb7a59ccd New port: science/py-ase: Atomic simulation environment 2018-09-01 18:17:53 +00:00
Tobias Kortkamp
224f5e1ab3 science/crf++: Fix build with Clang 6 
feature_index.cpp:174:22: error: no matching function for call to 'make_pair'
      old2new.insert(std::make_pair<int, int>(it->second.first, new_maxid));
                     ^~~~~~~~~~~~~~~~~~~~~~~~

http://beefy11.nyi.freebsd.org/data/head-i386-default/p478276_s338342/logs/errors/crf++-0.54_1.log
 2018-09-01 10:29:11 +00:00
Yuri Victorovich
154f11c544 New port: science/jdftx: Software for joint density functional theory in chemistry 2018-09-01 06:30:47 +00:00
Jan Beich
a519cdfee3 devel/google{test,mock}: update to 1.8.1 
Changes:	https://github.com/google/googletest/compare/9bda90b...release-1.8.1
 2018-08-31 20:14:40 +00:00
Fernando Apesteguía
d177d8bc64 devel/boehm-gc: update to 7.6.8 
ChangeLog: https://github.com/ivmai/bdwgc/releases/tag/v7.6.8

* Giving maintainership to yasu@utahime.org
* Bumping PORTREVISION for dependent ports

PR:	230577
Submitted by:	yasu@utahime.org
Approved by:	tcberner (mentor)
Differential Revision:	https://reviews.freebsd.org/D16704
 2018-08-31 18:27:13 +00:00
Yuri Victorovich
e628f8c49b science/qbox: Correct LICENSE, etc 2018-08-31 16:14:56 +00:00