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* science/shelxle: Update 1.0.1401 -> 1.0.1406Yuri Victorovich2022-07-062-4/+4
* science/rdkit: Update 2022.03.3 -> 2022.03.4Yuri Victorovich2022-07-062-8/+8
* science/qbox: Update 1.74.2 -> 1.74.3Yuri Victorovich2022-07-062-4/+4
* math/py-numpy: Update to 1.23.0Wen Heping2022-07-061-1/+1
* science/elk: Update 8.4.21 -> 8.4.30Yuri Victorovich2022-07-052-4/+4
* science/dftbplus: unbreak on powerpc* / mainPiotr Kubaj2022-07-041-3/+6
* science/siesta: unbreak on powerpc* / mainPiotr Kubaj2022-07-041-3/+7
* science/paraview: unbreak after the upgrade of science/netcdfThierry Thomas2022-07-032-0/+17
* science/shelxle: Update 1.0.1396 -> 1.0.1401Yuri Victorovich2022-07-032-4/+4
* science/jmol: Update 14.32.61 -> 14.32.62Yuri Victorovich2022-07-032-4/+4
* science/gramps: remove option for expired py-bsddb3Rene Ladan2022-07-021-5/+3
* science/py-cirq-rigetti: New port: Cirq module to run on Rigetti quantum comp...Yuri Victorovich2022-07-024-0/+52
* science/py-moltemplate: Update 2.20.5 -> 2.20.6Yuri Victorovich2022-07-012-4/+4
* science/py-cirq-*: Update 0.14.1 -> 0.15.0Yuri Victorovich2022-07-0110-21/+22
* devel/googletest: update to 1.12.1Jan Beich2022-06-302-2/+2
* science/cantera: Minor simplificationYuri Victorovich2022-06-291-1/+1
* science/py-asap3: Fix python suffix in shared library nameYuri Victorovich2022-06-291-1/+1
* science/lammps: Fix MPI option; Change VTK option to use VTK-9.1Yuri Victorovich2022-06-281-4/+3
* science/liggghts: Update 3.8.0-26 -> 3.8.0-45Yuri Victorovich2022-06-286-84/+27
* 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 Victorovich2022-06-262-4/+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 Victorovich2022-06-232-4/+4
* science/precice: Add options; Backport patch provided by upstreamYuri Victorovich2022-06-212-6/+24
* science/netcdf: Update to 4.9.0Po-Chuan Hsieh2022-06-213-23/+38
* science/py-MDAnalysis*: upgrade to 2.2.0Thierry Thomas2022-06-218-24/+129
* science/py-pygeometa: Update to 0.11.1Po-Chuan Hsieh2022-06-212-4/+4
* lang/fpc: Fix build issues building some fpc based appsJose Alonso Cardenas Marquez2022-06-212-2/+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 Victorovich2022-06-192-4/+4
* */*: Bump PORTREVISIONJose Alonso Cardenas Marquez2022-06-182-2/+2
* science/gromacs: Update 2022.1 -> 2022.2Yuri Victorovich2022-06-173-7/+11
* science/hypre: Update 2.24.0 -> 2.25.0Yuri Victorovich2022-06-177-189/+4
* science/dakota: Fix LIB_DEPENDS after science/szip removalPo-Chuan Hsieh2022-06-161-1/+1
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