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* science/afni: update to 22.1.14Fernando Apesteguía2022-06-282-6/+6
* science/py-libgetar: Fix testsYuri Victorovich2022-06-271-2/+5
* science/py-libgetar: New port: Library to read and write GEneric Trajectory A...Yuri Victorovich2022-06-274-0/+38
* science/libgetar: New port: Library to read and write GEneric Trajectory ARch...Yuri Victorovich2022-06-275-0/+39
* science/openems: Update 0.0.35-71 -> 0.0.35-76Yuri Victorovich2022-06-262-9/+7
* science/shelxle: Update 1.0.1395 -> 1.0.1396Yuri Victorovich2022-06-262-4/+4
* science/libint2: Update 2.7.1 -> 2.7.2Yuri Victorovich2022-06-262-5/+4
* science/jmol: Update 14.32.59 -> 14.32.61Yuri Victorovich2022-06-252-4/+4
* devel/googletest: update to 1.12.0Jan Beich2022-06-252-1/+2
* science/helfem: Fix build with clang-14Yuri Victorovich2022-06-242-1/+6
* science/gramps: Optional dependency on py-bsddb3Benjamin Takacs2022-06-232-8/+26
* science/bagel: Update 1.2.2 -> 1.2.2-132Yuri Victorovich2022-06-232-13/+19
* science/lammps: patch_2Jun2022 -> stable_23Jun2022Yuri Victorovich2022-06-222-4/+4
* science/precice: Add options; Backport patch provided by upstreamYuri Victorovich2022-06-212-6/+24
* science/netcdf: Update to 4.9.0Po-Chuan Hsieh2022-06-223-23/+38
* science/py-MDAnalysis*: upgrade to 2.2.0Thierry Thomas2022-06-218-24/+129
* science/py-pygeometa: Update to 0.11.1Po-Chuan Hsieh2022-06-222-4/+4
* lang/fpc: Fix build issues building some fpc based appsJose Alonso Cardenas Marquez2022-06-202-2/+2
* science/py-pyprecice: New port: Coupling library for partitioned multi-physic...Yuri Victorovich2022-06-204-0/+42
* science/precice: New port: Coupling library for partitioned multi-physics sim...Yuri Victorovich2022-06-206-0/+69
* science/ghemical: Fix path to mopac portYuri Victorovich2022-06-191-1/+1
* science/py-ase: Add test targetYuri Victorovich2022-06-191-1/+7
* science/py-asap3: New port: Classical potentials for MD with ASEYuri Victorovich2022-06-194-0/+32
* biology/mopac: Move to science/mopac; Add TIMESTAMP to distinfo; Take maintai...Yuri Victorovich2022-06-195-0/+60
* science/siesta: Add commentYuri Victorovich2022-06-191-1/+1
* science/py-ase: Add commentYuri Victorovich2022-06-191-1/+1
* science/shelxle: Update 1.0.1393 -> 1.0.1395Yuri Victorovich2022-06-182-4/+4
* */*: Bump PORTREVISIONJose Alonso Cardenas Marquez2022-06-172-2/+2
* science/gromacs: Update 2022.1 -> 2022.2Yuri Victorovich2022-06-173-7/+11
* science/hypre: Update 2.24.0 -> 2.25.0Yuri Victorovich2022-06-167-189/+4
* science/dakota: Fix LIB_DEPENDS after science/szip removalPo-Chuan Hsieh2022-06-171-1/+1
* science/dakota: Update 6.15.0 -> 6.16.0Yuri Victorovich2022-06-165-32/+60
* science/libcint: Update 5.1.2 -> 5.1.3Yuri Victorovich2022-06-162-4/+4
* science/hdf5: Sort PLISTPo-Chuan Hsieh2022-06-161-1/+1
* science/silo: Fix build with HDF5 1.10.8+Po-Chuan Hsieh2022-06-161-0/+42
* science/hdf5: Update to 1.10.9Po-Chuan Hsieh2022-06-163-25/+132
* science/szip: Remove obsoleted portPo-Chuan Hsieh2022-06-165-43/+0
* */*: Replace science/szip with science/libaecPo-Chuan Hsieh2022-06-1629-43/+59
* science/py-qcelemental: Update 0.24.0 -> 0.25.0Yuri Victorovich2022-06-152-7/+10
* science/py-py3Dmol: New port: IPython interface for embedding 3Dmol.js viewsYuri Victorovich2022-06-154-0/+25
* science/atompaw: Update 4.2.0.0 -> 4.2.0.1Yuri Victorovich2022-06-132-4/+4
* cience/py-scikit-learn: Update to 1.1.1Wen Heping2022-06-132-4/+4
* science/libtensorflow1: disallow newer BazelChris Rees2022-06-121-1/+1
* science/libtensorflow1: add flavour without AVXPaul Armstrong2022-06-121-3/+14
* misc/openvdb: Update 9.0.0 -> 9.1.0Yuri Victorovich2022-06-111-1/+1
* science/agrum: Update 1.1.0 -> 1.1.1Yuri Victorovich2022-06-113-6/+6
* science/shelxle: Update 1.0.1391 -> 1.0.1393Yuri Victorovich2022-06-112-4/+4
* KDE: Update KDE Gear to 22.04.2 (June bugfix release)Tobias C. Berner2022-06-102-6/+6
* science/libtensorflow1: Add new portPaul Armstrong2022-06-108-0/+397
* science/R-cran-kernlab: Update to 0.9-31TAKATSU Tomonari2022-06-102-4/+4
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