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* science/py-pygeometa: Update to 0.10.0Po-Chuan Hsieh2022-06-032-4/+6
* science/py-h5py: Update to 3.7.0Po-Chuan Hsieh2022-06-034-13/+16
* science/py-access: Update to 1.1.7Po-Chuan Hsieh2022-06-032-6/+8
* science/eccodes: Update to 2.26.0Po-Chuan Hsieh2022-06-033-402/+660
* science/rdkit: Update 2022.03.2 -> 2022.03.3Yuri Victorovich2022-06-032-9/+8
* science/py-thewalrus: New port: Open source library for hafnian calculationYuri Victorovich2022-06-014-0/+47
* science/quantum-jet: New port: Cross-platform header-only library for simulat...Yuri Victorovich2022-05-315-0/+61
* science/octopus: Cosmetic changesYuri Victorovich2022-05-311-2/+2
* science/octopus: Update 11.3 -> 11.4Yuri Victorovich2022-05-313-21/+7
* science/nest: remove redundant USES=compilerPiotr Kubaj2022-05-311-1/+1
* science/spglib: fix build without libompPiotr Kubaj2022-05-311-0/+4
* science/shelxle: Update 1.0.1385 -> 1.0.1387Yuri Victorovich2022-05-302-4/+4
* science/orthanc: Update to 1.11.0Frank Scholl2022-05-303-13/+8
* science/openmolcas: Broken on i386Yuri Victorovich2022-05-291-0/+2
* science/phonopy: Update 2.15.0 -> 2.15.1Yuri Victorovich2022-05-292-4/+4
* science/paraview: upgrade to v5.10.1Thierry Thomas2022-05-2613-2499/+7166
* science/paraview: resurrectThierry Thomas2022-05-2611-0/+2821
* science/dftbplus: Update 21.2 -> 22.1Yuri Victorovich2022-05-264-226/+60
* science/ukrmol+: Minor improvementsYuri Victorovich2022-05-261-3/+3
* science/ukrmol+: Fix testsYuri Victorovich2022-05-255-12/+120
* science/py-scipy: Update to 1.8.1Wen Heping2022-05-252-6/+6
* science/ukrmol+: New port: Code to compute electron and positron scattering f...Yuri Victorovich2022-05-256-0/+115
* science/gbtolib: New port: High-performance library for evaluation of molecul...Yuri Victorovich2022-05-255-0/+76
* science/phonopy: Update 2.14.0 -> 2.15.0Yuri Victorovich2022-05-242-4/+4
* science/openmolcas: New port: Quantum chemistry software packageYuri Victorovich2022-05-247-0/+298
* science/erkale{,-pseudopotentials}: Update g20200426 -> g20220405Yuri Victorovich2022-05-245-12/+40
* science/libxc: Update 5.1.7 -> 5.2.3Yuri Victorovich2022-05-243-8/+9
* science/q: New port: Molecular Dynamics (MD) toolsYuri Victorovich2022-05-244-0/+47
* science/cp2k: Update 7.1.0-20200518 -> 9.1.0Yuri Victorovich2022-05-245-86/+139
* science/cp2k-data: Update 7.1.0 -> 9.1.0Yuri Victorovich2022-05-243-5/+44
* science/afni: update to 22.1.10Fernando Apesteguía2022-05-232-4/+4
* science/plumed: Use upsteam release archiveDaniel Engberg2022-05-232-8/+5
* devel/boost-all: bump all library consumers after boost upgradeDima Panov2022-05-2224-12/+24
* science/libgeodecomp: mark as BROKEN after recent boost upgradeDima Panov2022-05-221-0/+2
* science/bagel: mark as BROKEN after recent boost upgradeDima Panov2022-05-221-0/+1
* science/py-eccodes: Update to 1.4.2Po-Chuan Hsieh2022-05-222-4/+4
* science/tblite: Update 0.2.0 -> 0.2.1Yuri Victorovich2022-05-223-5/+5
* science/tinker: don't set -march=nativePiotr Kubaj2022-05-222-0/+10
* science/jmol: Update 14.32.56 -> 14.32.57Yuri Victorovich2022-05-212-4/+4
* science/berkeleygw: Update 2.0.0 -> 3.0.1Yuri Victorovich2022-05-217-63/+96
* science/pcmsolver: Small fixesYuri Victorovich2022-05-211-1/+4
* science/py-PyNE: Update 0.7.6 -> 0.7.7Yuri Victorovich2022-05-203-15/+15
* science/jmol: Update 14.32.55 -> 14.32.56Yuri Victorovich2022-05-202-4/+4
* science/py-hoomd-blue: Update 3.1.0 -> 3.2.0Yuri Victorovich2022-05-203-4/+13
* science/massxpert: Improve portLorenzo Salvadore2022-05-192-3/+2
* science/orthanc-dicomweb: Update to 1.8Frank Scholl2022-05-192-12/+11
* science/libnegf: Update 1.0.3 -> 1.1.2Yuri Victorovich2022-05-183-38/+41
* science/py-scikit-learn: Update to 1.1.0Wen Heping2022-05-172-4/+4
* science/agrum: Update 1.0.0 -> 1.1.0Yuri Victorovich2022-05-163-5/+7
* graphics/dcmtk: Update 3.6.6 -> 3.6.7Yuri Victorovich2022-05-162-1/+7
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