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science
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Author
Age
Files
Lines
*
science/afni: update to 22.1.11
Fernando ApesteguĂa
2022-06-03
3
-4
/
+5
*
science/lammps: Update 24Mar2022 -> 2Jun2022
Yuri Victorovich
2022-06-03
3
-17
/
+5
*
science/ukrmol+: Broken on aarch64
Yuri Victorovich
2022-06-03
1
-0
/
+2
*
science/py-h5py: Convert to USE_PYTHON=pytest
Po-Chuan Hsieh
2022-06-03
1
-5
/
+1
*
science/cdk: Update 2.3 -> 2.7.1
Yuri Victorovich
2022-06-03
2
-7
/
+9
*
science/py-PyNE: Fix build with setuptools 58.0.0+
Po-Chuan Hsieh
2022-06-03
2
-1
/
+5
*
science/py-pygeometa: Update to 0.10.0
Po-Chuan Hsieh
2022-06-03
2
-4
/
+6
*
science/py-h5py: Update to 3.7.0
Po-Chuan Hsieh
2022-06-03
4
-13
/
+16
*
science/py-access: Update to 1.1.7
Po-Chuan Hsieh
2022-06-03
2
-6
/
+8
*
science/eccodes: Update to 2.26.0
Po-Chuan Hsieh
2022-06-03
3
-402
/
+660
*
science/rdkit: Update 2022.03.2 -> 2022.03.3
Yuri Victorovich
2022-06-03
2
-9
/
+8
*
science/py-thewalrus: New port: Open source library for hafnian calculation
Yuri Victorovich
2022-06-01
4
-0
/
+47
*
science/quantum-jet: New port: Cross-platform header-only library for simulat...
Yuri Victorovich
2022-05-31
5
-0
/
+61
*
science/octopus: Cosmetic changes
Yuri Victorovich
2022-05-31
1
-2
/
+2
*
science/octopus: Update 11.3 -> 11.4
Yuri Victorovich
2022-05-31
3
-21
/
+7
*
science/nest: remove redundant USES=compiler
Piotr Kubaj
2022-05-31
1
-1
/
+1
*
science/spglib: fix build without libomp
Piotr Kubaj
2022-05-31
1
-0
/
+4
*
science/shelxle: Update 1.0.1385 -> 1.0.1387
Yuri Victorovich
2022-05-30
2
-4
/
+4
*
science/orthanc: Update to 1.11.0
Frank Scholl
2022-05-30
3
-13
/
+8
*
science/openmolcas: Broken on i386
Yuri Victorovich
2022-05-29
1
-0
/
+2
*
science/phonopy: Update 2.15.0 -> 2.15.1
Yuri Victorovich
2022-05-29
2
-4
/
+4
*
science/paraview: upgrade to v5.10.1
Thierry Thomas
2022-05-26
13
-2499
/
+7166
*
science/paraview: resurrect
Thierry Thomas
2022-05-26
11
-0
/
+2821
*
science/dftbplus: Update 21.2 -> 22.1
Yuri Victorovich
2022-05-26
4
-226
/
+60
*
science/ukrmol+: Minor improvements
Yuri Victorovich
2022-05-26
1
-3
/
+3
*
science/ukrmol+: Fix tests
Yuri Victorovich
2022-05-25
5
-12
/
+120
*
science/py-scipy: Update to 1.8.1
Wen Heping
2022-05-25
2
-6
/
+6
*
science/ukrmol+: New port: Code to compute electron and positron scattering f...
Yuri Victorovich
2022-05-25
6
-0
/
+115
*
science/gbtolib: New port: High-performance library for evaluation of molecul...
Yuri Victorovich
2022-05-25
5
-0
/
+76
*
science/phonopy: Update 2.14.0 -> 2.15.0
Yuri Victorovich
2022-05-24
2
-4
/
+4
*
science/openmolcas: New port: Quantum chemistry software package
Yuri Victorovich
2022-05-24
7
-0
/
+298
*
science/erkale{,-pseudopotentials}: Update g20200426 -> g20220405
Yuri Victorovich
2022-05-24
5
-12
/
+40
*
science/libxc: Update 5.1.7 -> 5.2.3
Yuri Victorovich
2022-05-24
3
-8
/
+9
*
science/q: New port: Molecular Dynamics (MD) tools
Yuri Victorovich
2022-05-24
4
-0
/
+47
*
science/cp2k: Update 7.1.0-20200518 -> 9.1.0
Yuri Victorovich
2022-05-24
5
-86
/
+139
*
science/cp2k-data: Update 7.1.0 -> 9.1.0
Yuri Victorovich
2022-05-24
3
-5
/
+44
*
science/afni: update to 22.1.10
Fernando ApesteguĂa
2022-05-23
2
-4
/
+4
*
science/plumed: Use upsteam release archive
Daniel Engberg
2022-05-23
2
-8
/
+5
*
devel/boost-all: bump all library consumers after boost upgrade
Dima Panov
2022-05-22
24
-12
/
+24
*
science/libgeodecomp: mark as BROKEN after recent boost upgrade
Dima Panov
2022-05-22
1
-0
/
+2
*
science/bagel: mark as BROKEN after recent boost upgrade
Dima Panov
2022-05-22
1
-0
/
+1
*
science/py-eccodes: Update to 1.4.2
Po-Chuan Hsieh
2022-05-22
2
-4
/
+4
*
science/tblite: Update 0.2.0 -> 0.2.1
Yuri Victorovich
2022-05-22
3
-5
/
+5
*
science/tinker: don't set -march=native
Piotr Kubaj
2022-05-22
2
-0
/
+10
*
science/jmol: Update 14.32.56 -> 14.32.57
Yuri Victorovich
2022-05-21
2
-4
/
+4
*
science/berkeleygw: Update 2.0.0 -> 3.0.1
Yuri Victorovich
2022-05-21
7
-63
/
+96
*
science/pcmsolver: Small fixes
Yuri Victorovich
2022-05-21
1
-1
/
+4
*
science/py-PyNE: Update 0.7.6 -> 0.7.7
Yuri Victorovich
2022-05-20
3
-15
/
+15
*
science/jmol: Update 14.32.55 -> 14.32.56
Yuri Victorovich
2022-05-20
2
-4
/
+4
*
science/py-hoomd-blue: Update 3.1.0 -> 3.2.0
Yuri Victorovich
2022-05-20
3
-4
/
+13
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