| Commit message (Expand) | Author | Age | Files | Lines |
* | sci-chemistry/gromacs: needs mpi[cxx] | Sam James | 2021-11-04 | 3 | -3/+3 |
* | sci-chemistry/gromacs: Fix deps | Alexey Shvetsov | 2021-11-04 | 3 | -3/+3 |
* | sci-chemistry/gromacs: Unbundle muParser | Alexey Shvetsov | 2021-11-04 | 3 | -30/+27 |
* | sci-chemistry/gromacs: Add 2022_beta1 | Alexey Shvetsov | 2021-10-28 | 4 | -11/+708 |
* | sci-chemistry/gromacs: revbump for subslot operator changes | Sam James | 2021-10-26 | 8 | -12/+12 |
* | sci-chemistry/gromacs: Needs to be rebuilt with lmfit soname changes | Pacho Ramos | 2021-10-26 | 5 | -7/+7 |
* | sci-chemistry/pymol: drop 2.4.0-r1 | David Seifert | 2021-10-24 | 3 | -151/+0 |
* | sci-chemistry/cluster: Port to EAPI 8 | Jakov Smolić | 2021-10-21 | 1 | -9/+10 |
* | sci-chemistry/chemex: Drop old | Pacho Ramos | 2021-10-19 | 2 | -41/+0 |
* | sci-chemistry/chemex: Version bump | Pacho Ramos | 2021-10-19 | 2 | -0/+47 |
* | sci-chemistry/gromacs: fix confusing indentation | Sam James | 2021-10-14 | 3 | -18/+18 |
* | sci-chemistry/gromacs: fix configure with -custom-cflags | Sam James | 2021-10-14 | 3 | -3/+6 |
* | sci-chemistry/dssp: Keyword 4.0.1_p20210831 x86, #811417 | Sam James | 2021-10-10 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2021.3 arm, #814101 | Sam James | 2021-10-07 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2021.3 amd64, #814101 | Sam James | 2021-10-07 | 1 | -1/+1 |
* | sci-chemistry/dssp: x86 stable wrt bug #816123 | Agostino Sarubbo | 2021-10-05 | 1 | -1/+1 |
* | sci-chemistry/dssp: amd64 stable wrt bug #816123 | Agostino Sarubbo | 2021-10-04 | 1 | -1/+1 |
* | sci-chemistry/dssp: Bump to 4.0.3 | Pacho Ramos | 2021-10-03 | 2 | -0/+32 |
* | sci-chemistry/chemex: Version bump | Pacho Ramos | 2021-09-26 | 2 | -0/+44 |
* | sci-chemistry/votca-xtp: version bump | Christoph Junghans | 2021-09-19 | 2 | -0/+52 |
* | sci-chemistry/votca-csg: version bump | Christoph Junghans | 2021-09-19 | 2 | -0/+89 |
* | sci-chemistry/gromacs: Check patches | Alexey Shvetsov | 2021-09-15 | 1 | -6/+1 |
* | sci-chemistry/gromacs: version bump | Alexey Shvetsov | 2021-09-15 | 2 | -0/+363 |
* | sci-chemistry/mdtraj: Fix DISTUTILS_USE_SETUPTOOLS | Jakov Smolić | 2021-09-13 | 1 | -2/+1 |
* | **/metadata.xml: Replace http by https in DOCTYPE element | Ulrich Müller | 2021-09-11 | 65 | -65/+65 |
* | sci-chemistry/dssp: Bump to 3.0.11 | Pacho Ramos | 2021-09-02 | 2 | -0/+43 |
* | sci-chemistry/dssp: Needs boost with zlib and bzip2 support | Pacho Ramos | 2021-09-02 | 1 | -1/+1 |
* | sci-chemistry/dssp: Needs boost with zlib and bzip2 | Pacho Ramos | 2021-09-02 | 1 | -1/+1 |
* | sci-chemistry/dssp: Fix boost compat for dssp-2 | Pacho Ramos | 2021-09-02 | 2 | -0/+42 |
* | sci-chemistry/dssp: Bump to 4.0.1 | Pacho Ramos | 2021-09-02 | 2 | -0/+34 |
* | sci-chemistry/dssp: Take the package | Pacho Ramos | 2021-09-02 | 1 | -4/+3 |
* | sci-chemistry/mars: Remove last-rited package | Jakov Smolić | 2021-08-30 | 3 | -52/+0 |
* | sci-chemistry/gromacs: Needs to be rebuilt with hwloc | Pacho Ramos | 2021-08-25 | 3 | -3/+3 |
* | sci-chemistry/bodr: Port to EAPI 8 | Jakov Smolic | 2021-08-14 | 1 | -11/+4 |
* | sci-chemistry/easychem: Port to EAPI 8 | Jakov Smolic | 2021-08-14 | 1 | -8/+12 |
* | sci-chemistry/mustang: Port to EAPI 8 | Jakov Smolic | 2021-08-14 | 2 | -10/+5 |
* | sci-chemistry/mopac7: Port to EAPI 8 | Jakov Smolic | 2021-08-14 | 1 | -7/+10 |
* | sci-chemistry/theseus: Port to EAPI 8 | Jakov Smolic | 2021-08-14 | 1 | -13/+15 |
* | sci-chemistry/gnome-chemistry-utils: workaround build failure with GCC 11 | Sam James | 2021-07-27 | 1 | -1/+4 |
* | sci-chemistry/votca-xtp: version bump | Christoph Junghans | 2021-07-18 | 3 | -0/+53 |
* | sci-chemistry/votca-csg: version bump | Christoph Junghans | 2021-07-18 | 2 | -0/+89 |
* | sci-chemistry/vmd: PYTHON_MULTI_USEDEP -> PYTHON_USEDEP | David Seifert | 2021-07-17 | 1 | -2/+2 |
* | sci-chemistry/gromacs: PYTHON_MULTI_USEDEP -> PYTHON_USEDEP | David Seifert | 2021-07-17 | 5 | -10/+10 |
* | sci-chemistry/chemex: PYTHON_MULTI_USEDEP -> PYTHON_USEDEP | David Seifert | 2021-07-17 | 1 | -7/+7 |
* | sci-chemistry/gnome-chemistry-utils: Drop old | Pacho Ramos | 2021-07-08 | 2 | -72/+0 |
* | sci-chemistry/gnome-chemistry-utils: Version bump | Pacho Ramos | 2021-07-08 | 2 | -0/+72 |
* | sci-chemistry/tinker: add pkgconfig or pkgconfig-referenced libs deps | Sam James | 2021-06-18 | 1 | -4/+5 |
* | sci-chemistry/dssp: Depend on dev-libs/boost:=[threads(+)] | David Seifert | 2021-06-18 | 1 | -2/+2 |
* | sci-chemistry/autodock_vina: Depend on dev-libs/boost:=[threads(+)] | David Seifert | 2021-06-18 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Fix manual use | Alexey Shvetsov | 2021-06-18 | 5 | -33/+52 |