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* science/py-onnx: fix build with GCC-based architecturesPiotr Kubaj2019-08-131-1/+1
| | | | | | | | | | Use C11 compiler because of: /wrkdirs/usr/ports/science/py-onnx/work-py36/onnx-1.5.0/onnx/onnxifi_loader.c:121: error: 'struct onnxifi_library' has no member named 'functions' Approved by: mentors (implicit approval) Notes: svn path=/head/; revision=508815
* science/py-tensorflow-estimator: Add NO_ARCH=yes; Fix build for the port ↵Yuri Victorovich2019-08-131-3/+6
| | | | | | | name having hyphen (vs. underscore) in PORTNAME. Notes: svn path=/head/; revision=508802
* New port: science/py-tensorflow-estimator: TensorFlow Estimator, an API to ↵Yuri Victorovich2019-08-126-0/+209
| | | | | | | | | | | | | | | simplify machine learning programming Dependencies are unusual for science/py-tensorflow-estimator: science/py-tensorflow imports science/py-tensorflow-estimator in its python code, but science/py-tensorflow-estimator is a separate project that depends on science/py-tensorflow in order to build. PR: 226400 Submitted by: Anthony <amzo1337@gmail.com> Notes: svn path=/head/; revision=508752
* science/erkale: correctionYuri Victorovich2019-08-121-1/+1
| | | | Notes: svn path=/head/; revision=508717
* science/erkale: Update g20190412 -> g20190812Yuri Victorovich2019-08-124-13/+8
| | | | Notes: svn path=/head/; revision=508716
* science/nwchem: Update 6.8.1.20190606 -> 6.8.1.20190809Yuri Victorovich2019-08-112-6/+5
| | | | Notes: svn path=/head/; revision=508694
* Add compiler:c++11-lang to USES to fix build on gcc-based architectures:Mark Linimon2019-08-111-1/+1
| | | | | | | | | | | Target "hNN_WT__MD_435082866799_000" requires the language dialect "CXX11" (with compiler extensions), but CMake does not know the compile flags to use to enable it. Approved by: portmgr (tier-2 blanket) Notes: svn path=/head/; revision=508571
* science/py-ruffus: Update to 2.8.2Kai Knoblich2019-08-102-4/+4
| | | | | | | | | Changelog: * Implement retry behaviour for input file check. Notes: svn path=/head/; revision=508501
* Update to 2.1.0Sunpoet Po-Chuan Hsieh2019-08-092-4/+4
| | | | | | | Changes: https://github.com/rgeo/rgeo/blob/master/History.md Notes: svn path=/head/; revision=508473
* Revert r508450Sunpoet Po-Chuan Hsieh2019-08-093-3/+3
| | | | | | | r508454 has fixed the problem (bulk -a with BUILD_ALL_PYTHON_FLAVORS). Notes: svn path=/head/; revision=508460
* Fix bulk -a with BUILD_ALL_PYTHON_FLAVORS.Mathieu Arnold2019-08-093-3/+3
| | | | | | | | devel/py-typing-extensions does not support Python 3.7+, so ports requiring it can't either. Notes: svn path=/head/; revision=508450
* science/jmol: Update 14.29.49 -> 14.29.50Yuri Victorovich2019-08-092-4/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=508416
* New port: science/py-chainer-chemistry: Library for deep learning in biology ↵Yuri Victorovich2019-08-084-0/+38
| | | | | | | and chemistry Notes: svn path=/head/; revision=508406
* Fix typo: add missing quotation marksSunpoet Po-Chuan Hsieh2019-08-081-1/+1
| | | | Notes: svn path=/head/; revision=508404
* science/py-chainer: Remove the irrelevant categoryYuri Victorovich2019-08-081-1/+1
| | | | Notes: svn path=/head/; revision=508403
* New port: science/py-chainer: Deep learning frameworkYuri Victorovich2019-08-084-0/+41
| | | | Notes: svn path=/head/; revision=508402
* Fix RUN_DEPENDS: typing is used for Python 3.4 and belowSunpoet Po-Chuan Hsieh2019-08-082-2/+12
| | | | | | | | | - Bump PORTREVISION for dependency change With hat: python Notes: svn path=/head/; revision=508401
* New port: science/py-onnx: Open Neural Network eXchangeYuri Victorovich2019-08-085-0/+66
| | | | Notes: svn path=/head/; revision=508397
* science/simbody: Backport the pull request that fixed the pathname handling ↵Yuri Victorovich2019-08-082-4/+7
| | | | | | | on BSDs, and one failing testcase. Notes: svn path=/head/; revision=508360
* science/simbody: Add the option EXAMPLE_PROGRAMS that builds and installs ↵Yuri Victorovich2019-08-082-4/+28
| | | | | | | example programs Notes: svn path=/head/; revision=508359
* science/simbody: Add VISUALIZER_DESC for the VISUALIZER optionYuri Victorovich2019-08-081-0/+1
| | | | Notes: svn path=/head/; revision=508357
* science/lammps: patch_6Aug2019 -> stable_7Aug2019Yuri Victorovich2019-08-082-4/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=508356
* Re-add science/py-tensorflow: Computation using data flow graphs for ↵Yuri Victorovich2019-08-0630-0/+731
| | | | | | | | | | | | scalable machine learning Many thanks to Anthony who was highly persistent and skillful in getting the Tensorflow build on FreeBSD! PR: 226400 Submitted by: Anthony <amzo1337@gmail.com> Notes: svn path=/head/; revision=508257
* science/lammps: Update 2Aug2019 -> 6Aug2019Yuri Victorovich2019-08-052-5/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=508219
* multimedia/ffmpeg: update to 4.2Jan Beich2019-08-051-0/+1
| | | | | | | | Changes: https://git.ffmpeg.org/gitweb/ffmpeg.git/blob/n4.2:/Changelog ABI: https://abi-laboratory.pro/tracker/timeline/ffmpeg/ Notes: svn path=/head/; revision=508216
* Mark BROKEN: unfetchableAntoine Brodin2019-08-051-0/+2
| | | | Notes: svn path=/head/; revision=508138
* science/dalton: Update 2018.0 -> 2018.2Yuri Victorovich2019-08-042-6/+5
| | | | | | | Reported by: repology Notes: svn path=/head/; revision=508051
* science/wannier90: Update 2.1.0 -> 3.0.0Yuri Victorovich2019-08-043-24/+16
| | | | | | | The project moved to GitHub. Notes: svn path=/head/; revision=508049
* science/InsightToolkit: Update to 5.0.1Ben Woods2019-08-046-297/+223
| | | | | | | | | Changes this release: https://github.com/InsightSoftwareConsortium/ITK/releases/tag/v5.0.0 https://github.com/InsightSoftwareConsortium/ITK/releases/tag/v5.0.1 Notes: svn path=/head/; revision=508047
* science/maeparser: Update 1.1 -> 1.2Yuri Victorovich2019-08-043-7/+5
| | | | | | | Reported by: portgscout Notes: svn path=/head/; revision=508041
* Use PYNUMPYSunpoet Po-Chuan Hsieh2019-08-031-1/+1
| | | | Notes: svn path=/head/; revision=508011
* Use PYNUMPYSunpoet Po-Chuan Hsieh2019-08-031-1/+1
| | | | Notes: svn path=/head/; revision=508010
* Use PYNUMPYSunpoet Po-Chuan Hsieh2019-08-031-1/+1
| | | | Notes: svn path=/head/; revision=508009
* science/jdftx: 1.4.2-74 -> 1.5.0Yuri Victorovich2019-08-032-6/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507994
* science/dftbplus: Update 18.2 -> 19.1Yuri Victorovich2019-08-035-46/+43
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507991
* science/lammps: Update 19Jul2019 -> 2Aug2019Yuri Victorovich2019-08-033-23/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507935
* science/py-phonopy: Update 2.1.4 -> 2.2.0Yuri Victorovich2019-08-022-5/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507914
* science/py-qcengine: Update 0.7.1 -> 0.8.2Yuri Victorovich2019-08-022-6/+5
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507913
* science/metaphysicl: Update 0.5.0 -> 0.5.2Yuri Victorovich2019-08-023-6/+6
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507911
* Cosmetic changeSunpoet Po-Chuan Hsieh2019-08-021-1/+2
| | | | Notes: svn path=/head/; revision=507886
* Hook up science/openkim-models to build.Yuri Victorovich2019-08-021-0/+1
| | | | Notes: svn path=/head/; revision=507885
* New port: science/openkim-models: Open Knowledgebase of Interatomic ModelsYuri Victorovich2019-08-025-0/+444
| | | | | | | Requested by: Ryan S. Elliott <relliott@umn.edu> Notes: svn path=/head/; revision=507883
* science/jmol: Update 14.29.46 -> 14.29.49Yuri Victorovich2019-08-022-4/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507852
* science/libkml: fix build with GCC architecturesPiotr Kubaj2019-08-011-3/+1
| | | | | | | | | Typedef redefinitions were introduced in C11. Approved by: mentors (implicit approval) Notes: svn path=/head/; revision=507832
* science/wwplot: Update 0.0.4 -> 0.0.6Yuri Victorovich2019-08-012-5/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507747
* Bump PORTREVISION for devel/protobuf shlib changeSunpoet Po-Chuan Hsieh2019-07-312-2/+2
| | | | Notes: svn path=/head/; revision=507719
* science/py-qcelemental: Update 0.4.2 -> 0.5.0Yuri Victorovich2019-07-312-6/+5
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507701
* science/smoldyn: Update 2.60 -> 2.61Yuri Victorovich2019-07-312-4/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507699
* science/qmcpack: Update 3.7.0 -> 3.8.0Yuri Victorovich2019-07-312-6/+7
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=507698
* science/simgrid: Update 3.22.2.20190515 -> 3.23.2Yuri Victorovich2019-07-303-7/+6
| | | | | | | Reported by: repology Notes: svn path=/head/; revision=507620
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