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* science/nwchem: Add the PYTHON option enabling python syntax in .nw filesYuri Victorovich2021-10-201-0/+8
* *: apply refactor.remove-consecutive-empty-linesTobias Kortkamp2021-10-191-1/+0
* science/code_saturne: upgrade to 7.0.2Thierry Thomas2021-10-183-10/+13
* science/py-cirq-google: Update 0.12.0 -> 0.13.0Yuri Victorovich2021-10-172-5/+5
* cience/orthanci: Update to 1.9.7Wen Heping2021-10-174-12/+14
* science/py-qcengine: Update 0.19.0 -> 0.20.1; Add test targetYuri Victorovich2021-10-162-6/+15
* science/py-pyberny: New port: Optimizer of molecular geometries with respect ...Yuri Victorovich2021-10-164-0/+40
* science/py-qcelemental: Update 0.22.0 -> 0.23.0; Add test targetYuri Victorovich2021-10-162-4/+8
* science/py-pymatgen: Update 2022.0.12 -> 2022.0.14Yuri Victorovich2021-10-162-4/+4
* science/shelxle: Update 1.0.1328 -> 1.0.1330Yuri Victorovich2021-10-162-4/+4
* science/libcint: Update 4.4.4 -> 4.4.6Yuri Victorovich2021-10-162-4/+4
* *: fix tab vs. space issues, and comments according to the guide.Jimmy Olgeni2021-10-161-1/+1
* science/orthanc-dicomweb: Update to 1.7Frank Scholl2021-10-152-5/+6
* science/orthanc-mysql: Update to 4.3Frank Scholl2021-10-152-7/+9
* science/py-pycsw: Add CPE informationStefan Eßer2021-10-141-1/+1
* science/py-gsd: Update 2.4.2 -> 2.5.0Yuri Victorovich2021-10-142-4/+4
* science/py-tensorflow: Add CPE informationStefan Eßer2021-10-141-1/+2
* science/hdf5-18: Add CPE informationStefan Eßer2021-10-141-1/+2
* science/hdf5: Add CPE informationStefan Eßer2021-10-141-2/+2
* science/rubygem-rgeo-proj4: Update to 3.1.0Po-Chuan Hsieh2021-10-132-4/+4
* science/openmc: Unbreak LIBMESH option by switching to mpichYuri Victorovich2021-10-121-4/+4
* science/py-tensorflow: fix build on powerpc64Piotr Kubaj2021-10-123-3/+59
* *: Clean up some thingsTobias Kortkamp2021-10-122-3/+1
* science/py-pydicom: Update to 2.2.2Wen Heping2021-10-122-4/+4
* science/afni: update to 21.3.00Fernando Apesteguía2021-10-112-4/+4
* science/tinker: Update 8.9.5 -> 8.10.1Yuri Victorovich2021-10-113-4/+5
* science/py-OpenMC: New port: Monte Carlo neutron and photon transport simulat...Yuri Victorovich2021-10-114-0/+57
* science/openmc: New port: Monte Carlo neutron and photon transport simulation...Yuri Victorovich2021-10-116-0/+225
* INSTALLS_ICONS: retire the macro and rework the related dependenciesBaptiste Daroussin2021-10-107-7/+0
* science/py-PyNE: Add the moab dependency; Install the nuc_data.h5 file; Build...Yuri Victorovich2021-10-103-6/+23
* science/py-netCDF4: Update version 1.3.1=>1.5.7Wen Heping2021-10-102-9/+8
* devel/onetbb: Update to 2021.4.0Ganael LAPLANCHE2021-10-102-2/+2
* science/shelxle: Update 1.0.1326 -> 1.0.1328Yuri Victorovich2021-10-102-4/+4
* science/py-PyNE: New port: PyNE: The Nuclear Engineering ToolkitYuri Victorovich2021-10-106-0/+342
* science/dynare: fix build on non-amd64 64-bit architecturesPiotr Kubaj2021-10-082-0/+40
* KDE: Update KDE Gear to 21.08.2Tobias C. Berner2021-10-072-6/+6
* science/hypre: Update 2.22.1 -> 2.23.0Yuri Victorovich2021-10-073-39/+26
* science/jmol: Update 14.31.53 -> 14.31.57Yuri Victorovich2021-10-062-4/+4
* science/shelxle: Update 1.0.1322 -> 1.0.1326Yuri Victorovich2021-10-062-4/+4
* science/afni: update to 21.2.10Fernando Apesteguía2021-10-062-4/+4
* science/opensph: 0.3.8 release was moved to include the OpebVDB fixYuri Victorovich2021-10-032-6/+6
* science/opensph: Update 0.3.7 -> 0.3.8Yuri Victorovich2021-10-024-20/+21
* science/tinker: Update 8.9.4 -> 8.9.5Yuri Victorovich2021-10-024-7/+13
* science/openems: fix build on powerpc64*Piotr Kubaj2021-10-011-0/+11
* science/afni: update to 21.2.09Fernando Apesteguía2021-10-012-4/+4
* cleanup: drop support for EOL FreeBSD 11.XRene Ladan2021-09-301-1/+0
* science/lammps: Update patch_2Jul2021 -> stable_29Sep2021Yuri Victorovich2021-09-303-17/+26
* science/votca: Update 2021.2 -> 2021.2-18560Yuri Victorovich2021-09-293-4/+1786
* science/libaec: Update to 1.0.6Po-Chuan Hsieh2021-09-273-6/+6
* science/py-spaghetti: Update to 1.6.4Po-Chuan Hsieh2021-09-272-4/+4