diff options
Diffstat (limited to 'sci-chemistry/votca/votca-2022.ebuild')
| -rw-r--r-- | sci-chemistry/votca/votca-2022.ebuild | 14 |
1 files changed, 12 insertions, 2 deletions
diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..0962e065f91d 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -2,8 +2,9 @@ # Distributed under the terms of the GNU General Public License v2 EAPI=7 +PYTHON_COMPAT=( python3_{8..10} ) -inherit bash-completion-r1 cmake +inherit bash-completion-r1 cmake python-single-r1 if [[ ${PV} == *9999 ]]; then inherit git-r3 @@ -25,19 +26,21 @@ HOMEPAGE="https://www.votca.org/" LICENSE="Apache-2.0" SLOT="0" IUSE="+gromacs test" +REQUIRED_USE="${PYTHON_REQUIRED_USE}" RESTRICT="!test? ( test )" RDEPEND=" !sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp + ${PYTHON_DEPS} app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 @@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig" DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) +src_prepare() { + # espressopp was removed from gentoo + rm -r ./csg-tutorials/spce/ibi_espressopp || die + python_fix_shebang . + cmake_src_prepare +} + src_configure() { local mycmakeargs=( -DENABLE_TESTING=$(usex test) |